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PubMed code 16757170

Compile data set for download or QSAR
Found 40 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))
BDBM50188374
PNG
(1-phenyl-8-(2-phenyl-cyclohexyl)-1,3,8-triaza-spir...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)C1CCCCC1c1ccccc1
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)
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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: 4311-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.058
BindingDB Entry DOI: 10.7270/Q2Z31Z8W
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50188803
PNG
((S)-4-phenyl-8-((1R,2R)-2-phenyl-cyclohexyl)-2,8-d...)
Show SMILES O=C1NC[C@@H](c2ccccc2)C11CCN(CC1)[C@@H]1CCCC[C@@H]1c1ccccc1
Show InChI InChI=1S/C26H32N2O/c29-25-26(23(19-27-25)21-11-5-2-6-12-21)15-17-28(18-16-26)24-14-8-7-13-22(24)20-9-3-1-4-10-20/h1-6,9-12,22-24H,7-8,13-19H2,(H,27,29)/t22-,23+,24-/m1/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of hERG potassium channel expressed in CHO cells by whole cell patch clamp method


Bioorg Med Chem Lett 16: 4311-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.058
BindingDB Entry DOI: 10.7270/Q2Z31Z8W
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50188364
PNG
(8-[2-(4-fluoro-phenyl)-2-hydroxy-cyclohexyl]-4-phe...)
Show SMILES OC1(CCCCC1N1CCC2(CC1)C(CNC2=O)c1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C26H31FN2O2/c27-21-11-9-20(10-12-21)26(31)13-5-4-8-23(26)29-16-14-25(15-17-29)22(18-28-24(25)30)19-6-2-1-3-7-19/h1-3,6-7,9-12,22-23,31H,4-5,8,13-18H2,(H,28,30)
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n/an/a 1.80E+3n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of hERG potassium channel expressed in CHO cells by whole cell patch clamp method


Bioorg Med Chem Lett 16: 4311-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.058
BindingDB Entry DOI: 10.7270/Q2Z31Z8W
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50188376
PNG
(8-(2-hydroxy-2-phenyl-cyclohexyl)-1-phenyl-1,3,8-t...)
Show SMILES OC1(CCCCC1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H31N3O2/c29-23-24(28(19-26-23)21-11-5-2-6-12-21)15-17-27(18-16-24)22-13-7-8-14-25(22,30)20-9-3-1-4-10-20/h1-6,9-12,22,30H,7-8,13-19H2,(H,26,29)
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n/an/a 2.70E+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: 4311-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.058
BindingDB Entry DOI: 10.7270/Q2Z31Z8W
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50188803
PNG
((S)-4-phenyl-8-((1R,2R)-2-phenyl-cyclohexyl)-2,8-d...)
Show SMILES O=C1NC[C@@H](c2ccccc2)C11CCN(CC1)[C@@H]1CCCC[C@@H]1c1ccccc1
Show InChI InChI=1S/C26H32N2O/c29-25-26(23(19-27-25)21-11-5-2-6-12-21)15-17-28(18-16-26)24-14-8-7-13-22(24)20-9-3-1-4-10-20/h1-6,9-12,22-24H,7-8,13-19H2,(H,27,29)/t22-,23+,24-/m1/s1
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n/an/a 3.92E+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: 4311-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.058
BindingDB Entry DOI: 10.7270/Q2Z31Z8W
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50188374
PNG
(1-phenyl-8-(2-phenyl-cyclohexyl)-1,3,8-triaza-spir...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)C1CCCCC1c1ccccc1
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)
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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 receptors expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4311-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.058
BindingDB Entry DOI: 10.7270/Q2Z31Z8W
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50188364
PNG
(8-[2-(4-fluoro-phenyl)-2-hydroxy-cyclohexyl]-4-phe...)
Show SMILES OC1(CCCCC1N1CCC2(CC1)C(CNC2=O)c1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C26H31FN2O2/c27-21-11-9-20(10-12-21)26(31)13-5-4-8-23(26)29-16-14-25(15-17-29)22(18-28-24(25)30)19-6-2-1-3-7-19/h1-3,6-7,9-12,22-23,31H,4-5,8,13-18H2,(H,28,30)
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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 receptors expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4311-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.058
BindingDB Entry DOI: 10.7270/Q2Z31Z8W
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50188364
PNG
(8-[2-(4-fluoro-phenyl)-2-hydroxy-cyclohexyl]-4-phe...)
Show SMILES OC1(CCCCC1N1CCC2(CC1)C(CNC2=O)c1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C26H31FN2O2/c27-21-11-9-20(10-12-21)26(31)13-5-4-8-23(26)29-16-14-25(15-17-29)22(18-28-24(25)30)19-6-2-1-3-7-19/h1-3,6-7,9-12,22-23,31H,4-5,8,13-18H2,(H,28,30)
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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 receptors expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4311-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.058
BindingDB Entry DOI: 10.7270/Q2Z31Z8W
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50188803
PNG
((S)-4-phenyl-8-((1R,2R)-2-phenyl-cyclohexyl)-2,8-d...)
Show SMILES O=C1NC[C@@H](c2ccccc2)C11CCN(CC1)[C@@H]1CCCC[C@@H]1c1ccccc1
Show InChI InChI=1S/C26H32N2O/c29-25-26(23(19-27-25)21-11-5-2-6-12-21)15-17-28(18-16-26)24-14-8-7-13-22(24)20-9-3-1-4-10-20/h1-6,9-12,22-24H,7-8,13-19H2,(H,27,29)/t22-,23+,24-/m1/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 receptors expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4311-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.058
BindingDB Entry DOI: 10.7270/Q2Z31Z8W
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50188376
PNG
(8-(2-hydroxy-2-phenyl-cyclohexyl)-1-phenyl-1,3,8-t...)
Show SMILES OC1(CCCCC1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H31N3O2/c29-23-24(28(19-26-23)21-11-5-2-6-12-21)15-17-27(18-16-24)22-13-7-8-14-25(22,30)20-9-3-1-4-10-20/h1-6,9-12,22,30H,7-8,13-19H2,(H,26,29)
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n/an/a 1.50E+4n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4311-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.058
BindingDB Entry DOI: 10.7270/Q2Z31Z8W
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50188364
PNG
(8-[2-(4-fluoro-phenyl)-2-hydroxy-cyclohexyl]-4-phe...)
Show SMILES OC1(CCCCC1N1CCC2(CC1)C(CNC2=O)c1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C26H31FN2O2/c27-21-11-9-20(10-12-21)26(31)13-5-4-8-23(26)29-16-14-25(15-17-29)22(18-28-24(25)30)19-6-2-1-3-7-19/h1-3,6-7,9-12,22-23,31H,4-5,8,13-18H2,(H,28,30)
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n/an/a 2.40E+4n/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: 4311-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.058
BindingDB Entry DOI: 10.7270/Q2Z31Z8W
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50188364
PNG
(8-[2-(4-fluoro-phenyl)-2-hydroxy-cyclohexyl]-4-phe...)
Show SMILES OC1(CCCCC1N1CCC2(CC1)C(CNC2=O)c1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C26H31FN2O2/c27-21-11-9-20(10-12-21)26(31)13-5-4-8-23(26)29-16-14-25(15-17-29)22(18-28-24(25)30)19-6-2-1-3-7-19/h1-3,6-7,9-12,22-23,31H,4-5,8,13-18H2,(H,28,30)
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n/an/a 2.40E+4n/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: 4311-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.058
BindingDB Entry DOI: 10.7270/Q2Z31Z8W
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50188368
PNG
(4-(4-fluoro-phenyl)-8-(2-hydroxy-2-phenyl-cyclohex...)
Show SMILES OC1(CCCCC1N1CCC2(CC1)C(CNC2=O)c1ccc(F)cc1)c1ccccc1
Show InChI InChI=1S/C26H31FN2O2/c27-21-11-9-19(10-12-21)22-18-28-24(30)25(22)14-16-29(17-15-25)23-8-4-5-13-26(23,31)20-6-2-1-3-7-20/h1-3,6-7,9-12,22-23,31H,4-5,8,13-18H2,(H,28,30)
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n/an/a>2.40E+7n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of hERG potassium channel expressed in CHO cells by whole cell patch clamp method


Bioorg Med Chem Lett 16: 4311-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.058
BindingDB Entry DOI: 10.7270/Q2Z31Z8W
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50188362
PNG
(4-(4-fluoro-phenyl)-8-[2-hydroxy-2-(4-methoxy-phen...)
Show SMILES COc1ccc(cc1)C1(O)CCCCC1N1CCC2(CC1)C(CNC2=O)c1ccc(F)cc1
Show InChI InChI=1S/C27H33FN2O3/c1-33-22-11-7-20(8-12-22)27(32)13-3-2-4-24(27)30-16-14-26(15-17-30)23(18-29-25(26)31)19-5-9-21(28)10-6-19/h5-12,23-24,32H,2-4,13-18H2,1H3,(H,29,31)
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n/an/an/an/a 158n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human GlyT1 by radiometric assay


Bioorg Med Chem Lett 16: 4311-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.058
BindingDB Entry DOI: 10.7270/Q2Z31Z8W
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50188376
PNG
(8-(2-hydroxy-2-phenyl-cyclohexyl)-1-phenyl-1,3,8-t...)
Show SMILES OC1(CCCCC1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H31N3O2/c29-23-24(28(19-26-23)21-11-5-2-6-12-21)15-17-27(18-16-24)22-13-7-8-14-25(22,30)20-9-3-1-4-10-20/h1-6,9-12,22,30H,7-8,13-19H2,(H,26,29)
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n/an/an/an/a 44n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human GlyT1 by radiometric assay


Bioorg Med Chem Lett 16: 4311-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.058
BindingDB Entry DOI: 10.7270/Q2Z31Z8W
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50188372
PNG
(4-(4-fluoro-phenyl)-8-(2-hydroxy-2-m-tolyl-cyclohe...)
Show SMILES Cc1cccc(c1)C1(O)CCCCC1N1CCC2(CC1)C(CNC2=O)c1ccc(F)cc1
Show InChI InChI=1S/C27H33FN2O2/c1-19-5-4-6-21(17-19)27(32)12-3-2-7-24(27)30-15-13-26(14-16-30)23(18-29-25(26)31)20-8-10-22(28)11-9-20/h4-6,8-11,17,23-24,32H,2-3,7,12-16,18H2,1H3,(H,29,31)
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n/an/an/an/a 2.64E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human GlyT1 by radiometric assay


Bioorg Med Chem Lett 16: 4311-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.058
BindingDB Entry DOI: 10.7270/Q2Z31Z8W
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50188380
PNG
(8-[2-hydroxy-2-(4-methoxy-phenyl)-cyclohexyl]-4-ph...)
Show SMILES COc1ccc(cc1)C1(O)CCCCC1N1CCC2(CC1)C(CNC2=O)c1ccccc1
Show InChI InChI=1S/C27H34N2O3/c1-32-22-12-10-21(11-13-22)27(31)14-6-5-9-24(27)29-17-15-26(16-18-29)23(19-28-25(26)30)20-7-3-2-4-8-20/h2-4,7-8,10-13,23-24,31H,5-6,9,14-19H2,1H3,(H,28,30)
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n/an/an/an/a 4.48E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human GlyT1 by radiometric assay


Bioorg Med Chem Lett 16: 4311-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.058
BindingDB Entry DOI: 10.7270/Q2Z31Z8W
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50188803
PNG
((S)-4-phenyl-8-((1R,2R)-2-phenyl-cyclohexyl)-2,8-d...)
Show SMILES O=C1NC[C@@H](c2ccccc2)C11CCN(CC1)[C@@H]1CCCC[C@@H]1c1ccccc1
Show InChI InChI=1S/C26H32N2O/c29-25-26(23(19-27-25)21-11-5-2-6-12-21)15-17-28(18-16-26)24-14-8-7-13-22(24)20-9-3-1-4-10-20/h1-6,9-12,22-24H,7-8,13-19H2,(H,27,29)/t22-,23+,24-/m1/s1
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n/an/an/an/a 232n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human GlyT1 by radiometric assay


Bioorg Med Chem Lett 16: 4311-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.058
BindingDB Entry DOI: 10.7270/Q2Z31Z8W
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50188365
PNG
(8-[2-(3-fluoro-phenyl)-2-hydroxy-cyclohexyl]-4-phe...)
Show SMILES OC1(CCCCC1N1CCC2(CC1)C(CNC2=O)c1ccccc1)c1cccc(F)c1
Show InChI InChI=1S/C26H31FN2O2/c27-21-10-6-9-20(17-21)26(31)12-5-4-11-23(26)29-15-13-25(14-16-29)22(18-28-24(25)30)19-7-2-1-3-8-19/h1-3,6-10,17,22-23,31H,4-5,11-16,18H2,(H,28,30)
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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 at human GlyT1 by radiometric assay


Bioorg Med Chem Lett 16: 4311-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.058
BindingDB Entry DOI: 10.7270/Q2Z31Z8W
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50188378
PNG
(4-(4-fluoro-phenyl)-8-[2-hydroxy-2-(2-trifluoromet...)
Show SMILES OC1(CCCCC1N1CCC2(CC1)C(CNC2=O)c1ccc(F)cc1)c1ccccc1OC(F)(F)F
Show InChI InChI=1S/C27H30F4N2O3/c28-19-10-8-18(9-11-19)21-17-32-24(34)25(21)13-15-33(16-14-25)23-7-3-4-12-26(23,35)20-5-1-2-6-22(20)36-27(29,30)31/h1-2,5-6,8-11,21,23,35H,3-4,7,12-17H2,(H,32,34)
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n/an/an/an/a 1.39E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human GlyT1 by radiometric assay


Bioorg Med Chem Lett 16: 4311-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.058
BindingDB Entry DOI: 10.7270/Q2Z31Z8W
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50188803
PNG
((S)-4-phenyl-8-((1R,2R)-2-phenyl-cyclohexyl)-2,8-d...)
Show SMILES O=C1NC[C@@H](c2ccccc2)C11CCN(CC1)[C@@H]1CCCC[C@@H]1c1ccccc1
Show InChI InChI=1S/C26H32N2O/c29-25-26(23(19-27-25)21-11-5-2-6-12-21)15-17-28(18-16-26)24-14-8-7-13-22(24)20-9-3-1-4-10-20/h1-6,9-12,22-24H,7-8,13-19H2,(H,27,29)/t22-,23+,24-/m1/s1
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n/an/an/an/a 232n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human GlyT1 by radiometric assay


Bioorg Med Chem Lett 16: 4311-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.058
BindingDB Entry DOI: 10.7270/Q2Z31Z8W
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50188371
PNG
(4-(4-fluoro-phenyl)-8-[2-hydroxy-2-(3-methoxy-phen...)
Show SMILES COc1cccc(c1)C1(O)CCCCC1N1CCC2(CC1)C(CNC2=O)c1ccc(F)cc1
Show InChI InChI=1S/C27H33FN2O3/c1-33-22-6-4-5-20(17-22)27(32)12-3-2-7-24(27)30-15-13-26(14-16-30)23(18-29-25(26)31)19-8-10-21(28)11-9-19/h4-6,8-11,17,23-24,32H,2-3,7,12-16,18H2,1H3,(H,29,31)
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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 at human GlyT1 by radiometric assay


Bioorg Med Chem Lett 16: 4311-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.058
BindingDB Entry DOI: 10.7270/Q2Z31Z8W
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50188360
PNG
(4-(4-fluoro-phenyl)-8-[2-(3-fluoro-phenyl)-2-hydro...)
Show SMILES OC1(CCCCC1N1CCC2(CC1)C(CNC2=O)c1ccc(F)cc1)c1cccc(F)c1
Show InChI InChI=1S/C26H30F2N2O2/c27-20-9-7-18(8-10-20)22-17-29-24(31)25(22)12-14-30(15-13-25)23-6-1-2-11-26(23,32)19-4-3-5-21(28)16-19/h3-5,7-10,16,22-23,32H,1-2,6,11-15,17H2,(H,29,31)
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n/an/an/an/a 95n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human GlyT1 by radiometric assay


Bioorg Med Chem Lett 16: 4311-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.058
BindingDB Entry DOI: 10.7270/Q2Z31Z8W
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50188366
PNG
(8-[2-(3-chloro-phenyl)-2-hydroxy-cyclohexyl]-4-(4-...)
Show SMILES OC1(CCCCC1N1CCC2(CC1)C(CNC2=O)c1ccc(F)cc1)c1cccc(Cl)c1
Show InChI InChI=1S/C26H30ClFN2O2/c27-20-5-3-4-19(16-20)26(32)11-2-1-6-23(26)30-14-12-25(13-15-30)22(17-29-24(25)31)18-7-9-21(28)10-8-18/h3-5,7-10,16,22-23,32H,1-2,6,11-15,17H2,(H,29,31)
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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 at human GlyT1 by radiometric assay


Bioorg Med Chem Lett 16: 4311-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.058
BindingDB Entry DOI: 10.7270/Q2Z31Z8W
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50188374
PNG
(1-phenyl-8-(2-phenyl-cyclohexyl)-1,3,8-triaza-spir...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)C1CCCCC1c1ccccc1
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)
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n/an/an/an/a 26n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human GlyT1 by radiometric assay


Bioorg Med Chem Lett 16: 4311-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.058
BindingDB Entry DOI: 10.7270/Q2Z31Z8W
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50188379
PNG
(4-(4-fluorophenyl)-8-[2-(3-fluorophenyl)-2-hydroxy...)
Show SMILES CC1CC2(CCN1C1CCCCC1(O)c1cccc(F)c1)C(CNC2=O)c1ccc(F)cc1
Show InChI InChI=1S/C27H32F2N2O2/c1-18-16-26(23(17-30-25(26)32)19-8-10-21(28)11-9-19)13-14-31(18)24-7-2-3-12-27(24,33)20-5-4-6-22(29)15-20/h4-6,8-11,15,18,23-24,33H,2-3,7,12-14,16-17H2,1H3,(H,30,32)
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n/an/an/an/a 474n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human GlyT1 by radiometric assay


Bioorg Med Chem Lett 16: 4311-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.058
BindingDB Entry DOI: 10.7270/Q2Z31Z8W
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50188367
PNG
(8-[2-(4-tert-butyl-phenyl)-2-hydroxy-cyclohexyl]-4...)
Show SMILES CC(C)(C)c1ccc(cc1)C1(O)CCCCC1N1CCC2(CC1)C(CNC2=O)c1ccc(F)cc1
Show InChI InChI=1S/C30H39FN2O2/c1-28(2,3)22-9-11-23(12-10-22)30(35)15-5-4-6-26(30)33-18-16-29(17-19-33)25(20-32-27(29)34)21-7-13-24(31)14-8-21/h7-14,25-26,35H,4-6,15-20H2,1-3H3,(H,32,34)
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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 GlyT1 by radiometric assay


Bioorg Med Chem Lett 16: 4311-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.058
BindingDB Entry DOI: 10.7270/Q2Z31Z8W
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50188803
PNG
((S)-4-phenyl-8-((1R,2R)-2-phenyl-cyclohexyl)-2,8-d...)
Show SMILES O=C1NC[C@@H](c2ccccc2)C11CCN(CC1)[C@@H]1CCCC[C@@H]1c1ccccc1
Show InChI InChI=1S/C26H32N2O/c29-25-26(23(19-27-25)21-11-5-2-6-12-21)15-17-28(18-16-26)24-14-8-7-13-22(24)20-9-3-1-4-10-20/h1-6,9-12,22-24H,7-8,13-19H2,(H,27,29)/t22-,23+,24-/m1/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 at human GlyT2 by radiometric assay


Bioorg Med Chem Lett 16: 4311-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.058
BindingDB Entry DOI: 10.7270/Q2Z31Z8W
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50188370
PNG
(4-(4-fluoro-phenyl)-8-[2-hydroxy-2-(4-trifluoromet...)
Show SMILES OC1(CCCCC1N1CCC2(CC1)C(CNC2=O)c1ccc(F)cc1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C27H30F4N2O2/c28-21-10-4-18(5-11-21)22-17-32-24(34)25(22)13-15-33(16-14-25)23-3-1-2-12-26(23,35)19-6-8-20(9-7-19)27(29,30)31/h4-11,22-23,35H,1-3,12-17H2,(H,32,34)
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n/an/an/an/a 1.31E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human GlyT1 by radiometric assay


Bioorg Med Chem Lett 16: 4311-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.058
BindingDB Entry DOI: 10.7270/Q2Z31Z8W
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50188358
PNG
(4-(4-fluoro-phenyl)-8-[2-(2-fluoro-phenyl)-2-hydro...)
Show SMILES OC1(CCCCC1N1CCC2(CC1)C(CNC2=O)c1ccc(F)cc1)c1ccccc1F
Show InChI InChI=1S/C26H30F2N2O2/c27-19-10-8-18(9-11-19)21-17-29-24(31)25(21)13-15-30(16-14-25)23-7-3-4-12-26(23,32)20-5-1-2-6-22(20)28/h1-2,5-6,8-11,21,23,32H,3-4,7,12-17H2,(H,29,31)
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n/an/an/an/a 596n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human GlyT1 by radiometric assay


Bioorg Med Chem Lett 16: 4311-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.058
BindingDB Entry DOI: 10.7270/Q2Z31Z8W
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50188359
PNG
(4-(4-fluoro-phenyl)-8-(2-hydroxy-2-p-tolyl-cyclohe...)
Show SMILES Cc1ccc(cc1)C1(O)CCCCC1N1CCC2(CC1)C(CNC2=O)c1ccc(F)cc1
Show InChI InChI=1S/C27H33FN2O2/c1-19-5-9-21(10-6-19)27(32)13-3-2-4-24(27)30-16-14-26(15-17-30)23(18-29-25(26)31)20-7-11-22(28)12-8-20/h5-12,23-24,32H,2-4,13-18H2,1H3,(H,29,31)
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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 GlyT1 by radiometric assay


Bioorg Med Chem Lett 16: 4311-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.058
BindingDB Entry DOI: 10.7270/Q2Z31Z8W
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50188364
PNG
(8-[2-(4-fluoro-phenyl)-2-hydroxy-cyclohexyl]-4-phe...)
Show SMILES OC1(CCCCC1N1CCC2(CC1)C(CNC2=O)c1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C26H31FN2O2/c27-21-11-9-20(10-12-21)26(31)13-5-4-8-23(26)29-16-14-25(15-17-29)22(18-28-24(25)30)19-6-2-1-3-7-19/h1-3,6-7,9-12,22-23,31H,4-5,8,13-18H2,(H,28,30)
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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 GlyT1 by radiometric assay


Bioorg Med Chem Lett 16: 4311-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.058
BindingDB Entry DOI: 10.7270/Q2Z31Z8W
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50188369
PNG
(4-{2-[4-(4-fluoro-phenyl)-1-oxo-2,8-diaza-spiro[4....)
Show SMILES OC1(CCCCC1N1CCC2(CC1)C(CNC2=O)c1ccc(F)cc1)c1ccc(cc1)C#N
Show InChI InChI=1S/C27H30FN3O2/c28-22-10-6-20(7-11-22)23-18-30-25(32)26(23)13-15-31(16-14-26)24-3-1-2-12-27(24,33)21-8-4-19(17-29)5-9-21/h4-11,23-24,33H,1-3,12-16,18H2,(H,30,32)
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n/an/an/an/a 1.13E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human GlyT1 by radiometric assay


Bioorg Med Chem Lett 16: 4311-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.058
BindingDB Entry DOI: 10.7270/Q2Z31Z8W
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50188375
PNG
(4-(4-fluoro-phenyl)-8-(2-hydroxy-2-o-tolyl-cyclohe...)
Show SMILES Cc1ccccc1C1(O)CCCCC1N1CCC2(CC1)C(CNC2=O)c1ccc(F)cc1
Show InChI InChI=1S/C27H33FN2O2/c1-19-6-2-3-7-22(19)27(32)13-5-4-8-24(27)30-16-14-26(15-17-30)23(18-29-25(26)31)20-9-11-21(28)12-10-20/h2-3,6-7,9-12,23-24,32H,4-5,8,13-18H2,1H3,(H,29,31)
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n/an/an/an/a 596n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human GlyT1 by radiometric assay


Bioorg Med Chem Lett 16: 4311-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.058
BindingDB Entry DOI: 10.7270/Q2Z31Z8W
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50188363
PNG
(8-[2-(4-fluoro-phenyl)-2-hydroxy-cyclohexyl]-1-phe...)
Show SMILES OC1(CCCCC1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C25H30FN3O2/c26-20-11-9-19(10-12-20)25(31)13-5-4-8-22(25)28-16-14-24(15-17-28)23(30)27-18-29(24)21-6-2-1-3-7-21/h1-3,6-7,9-12,22,31H,4-5,8,13-18H2,(H,27,30)
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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 at human GlyT1 by radiometric assay


Bioorg Med Chem Lett 16: 4311-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.058
BindingDB Entry DOI: 10.7270/Q2Z31Z8W
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50188376
PNG
(8-(2-hydroxy-2-phenyl-cyclohexyl)-1-phenyl-1,3,8-t...)
Show SMILES OC1(CCCCC1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H31N3O2/c29-23-24(28(19-26-23)21-11-5-2-6-12-21)15-17-27(18-16-24)22-13-7-8-14-25(22,30)20-9-3-1-4-10-20/h1-6,9-12,22,30H,7-8,13-19H2,(H,26,29)
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n/an/an/an/a 7.20E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human GlyT2 by radiometric assay


Bioorg Med Chem Lett 16: 4311-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.058
BindingDB Entry DOI: 10.7270/Q2Z31Z8W
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50188373
PNG
(8-[2-hydroxy-2-(3-methoxy-phenyl)-cyclohexyl]-4-ph...)
Show SMILES COc1cccc(c1)C1(O)CCCCC1N1CCC2(CC1)C(CNC2=O)c1ccccc1
Show InChI InChI=1S/C27H34N2O3/c1-32-22-11-7-10-21(18-22)27(31)13-6-5-12-24(27)29-16-14-26(15-17-29)23(19-28-25(26)30)20-8-3-2-4-9-20/h2-4,7-11,18,23-24,31H,5-6,12-17,19H2,1H3,(H,28,30)
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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 GlyT1 by radiometric assay


Bioorg Med Chem Lett 16: 4311-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.058
BindingDB Entry DOI: 10.7270/Q2Z31Z8W
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50188374
PNG
(1-phenyl-8-(2-phenyl-cyclohexyl)-1,3,8-triaza-spir...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)C1CCCCC1c1ccccc1
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)
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n/an/an/an/a 1.20E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human GlyT2 by radiometric assay


Bioorg Med Chem Lett 16: 4311-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.058
BindingDB Entry DOI: 10.7270/Q2Z31Z8W
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50188377
PNG
(4-(4-fluoro-phenyl)-8-[2-hydroxy-2-(4-methanesulfo...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1(O)CCCCC1N1CCC2(CC1)C(CNC2=O)c1ccc(F)cc1
Show InChI InChI=1S/C27H33FN2O4S/c1-35(33,34)22-11-7-20(8-12-22)27(32)13-3-2-4-24(27)30-16-14-26(15-17-30)23(18-29-25(26)31)19-5-9-21(28)10-6-19/h5-12,23-24,32H,2-4,13-18H2,1H3,(H,29,31)
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n/an/an/an/a 1.86E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human GlyT1 by radiometric assay


Bioorg Med Chem Lett 16: 4311-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.058
BindingDB Entry DOI: 10.7270/Q2Z31Z8W
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50188364
PNG
(8-[2-(4-fluoro-phenyl)-2-hydroxy-cyclohexyl]-4-phe...)
Show SMILES OC1(CCCCC1N1CCC2(CC1)C(CNC2=O)c1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C26H31FN2O2/c27-21-11-9-20(10-12-21)26(31)13-5-4-8-23(26)29-16-14-25(15-17-29)22(18-28-24(25)30)19-6-2-1-3-7-19/h1-3,6-7,9-12,22-23,31H,4-5,8,13-18H2,(H,28,30)
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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 GlyT2 by radiometric assay


Bioorg Med Chem Lett 16: 4311-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.058
BindingDB Entry DOI: 10.7270/Q2Z31Z8W
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%