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PubMed code 16762548

Compile data set for download or QSAR
Found 37 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))
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 mu opioid receptor expressed in BHK cells


Bioorg Med Chem Lett 16: 4305-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.064
BindingDB Entry DOI: 10.7270/Q28C9VVV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50188806
PNG
((S)-4-(4-fluoro-phenyl)-8-[(1R,2R)-2-(4-fluoro-phe...)
Show SMILES Fc1ccc(cc1)[C@@H]1CNC(=O)C11CCN(CC1)[C@@H]1CCCC[C@@H]1c1ccc(F)cc1
Show InChI InChI=1S/C26H30F2N2O/c27-20-9-5-18(6-10-20)22-3-1-2-4-24(22)30-15-13-26(14-16-30)23(17-29-25(26)31)19-7-11-21(28)12-8-19/h5-12,22-24H,1-4,13-17H2,(H,29,31)/t22-,23+,24-/m1/s1
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n/an/a 1.09E+3n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4305-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.064
BindingDB Entry DOI: 10.7270/Q28C9VVV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50188813
PNG
((S)-4-(4-fluoro-phenyl)-8-[(1S,2S)-2-(4-fluoro-phe...)
Show SMILES Fc1ccc(cc1)[C@@H]1CNC(=O)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccc(F)cc1
Show InChI InChI=1S/C26H30F2N2O/c27-20-9-5-18(6-10-20)22-3-1-2-4-24(22)30-15-13-26(14-16-30)23(17-29-25(26)31)19-7-11-21(28)12-8-19/h5-12,22-24H,1-4,13-17H2,(H,29,31)/t22-,23-,24-/m0/s1
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n/an/a 1.55E+3n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4305-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.064
BindingDB Entry DOI: 10.7270/Q28C9VVV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50188810
PNG
((R)-4-phenyl-8-((1S,2S)-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-/m0/s1
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n/an/a 3.49E+3n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4305-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.064
BindingDB Entry DOI: 10.7270/Q28C9VVV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50188361
PNG
(4-phenyl-8-(2-phenyl-cyclohexyl)-2,8-diaza-spiro[4...)
Show SMILES O=C1NCC(c2ccccc2)C11CCN(CC1)C1CCCCC1c1ccccc1
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)
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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 mu opioid receptor expressed in BHK cells


Bioorg Med Chem Lett 16: 4305-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.064
BindingDB Entry DOI: 10.7270/Q28C9VVV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50188805
PNG
((R)-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 5.48E+3n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4305-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.064
BindingDB Entry DOI: 10.7270/Q28C9VVV
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: 4305-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.064
BindingDB Entry DOI: 10.7270/Q28C9VVV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50188804
PNG
((R)-4-(4-fluoro-phenyl)-8-[(1R,2R)-2-(4-fluoro-phe...)
Show SMILES Fc1ccc(cc1)[C@H]1CNC(=O)C11CCN(CC1)[C@@H]1CCCC[C@@H]1c1ccc(F)cc1
Show InChI InChI=1S/C26H30F2N2O/c27-20-9-5-18(6-10-20)22-3-1-2-4-24(22)30-15-13-26(14-16-30)23(17-29-25(26)31)19-7-11-21(28)12-8-19/h5-12,22-24H,1-4,13-17H2,(H,29,31)/t22-,23-,24-/m1/s1
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n/an/a 6.70E+3n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4305-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.064
BindingDB Entry DOI: 10.7270/Q28C9VVV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50188809
PNG
((S)-4-phenyl-8-((1S,2S)-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-/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]naloxone from mu opioid receptor expressed in BHK cells


Bioorg Med Chem Lett 16: 4305-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.064
BindingDB Entry DOI: 10.7270/Q28C9VVV
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50188810
PNG
((R)-4-phenyl-8-((1S,2S)-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-/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: 4305-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.064
BindingDB Entry DOI: 10.7270/Q28C9VVV
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50188806
PNG
((S)-4-(4-fluoro-phenyl)-8-[(1R,2R)-2-(4-fluoro-phe...)
Show SMILES Fc1ccc(cc1)[C@@H]1CNC(=O)C11CCN(CC1)[C@@H]1CCCC[C@@H]1c1ccc(F)cc1
Show InChI InChI=1S/C26H30F2N2O/c27-20-9-5-18(6-10-20)22-3-1-2-4-24(22)30-15-13-26(14-16-30)23(17-29-25(26)31)19-7-11-21(28)12-8-19/h5-12,22-24H,1-4,13-17H2,(H,29,31)/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 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4305-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.064
BindingDB Entry DOI: 10.7270/Q28C9VVV
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50188809
PNG
((S)-4-phenyl-8-((1S,2S)-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-/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: 4305-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.064
BindingDB Entry DOI: 10.7270/Q28C9VVV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50188811
PNG
((R)-4-(4-fluoro-phenyl)-8-[(1S,2S)-2-(4-fluoro-phe...)
Show SMILES Fc1ccc(cc1)[C@H]1CNC(=O)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccc(F)cc1
Show InChI InChI=1S/C26H30F2N2O/c27-20-9-5-18(6-10-20)22-3-1-2-4-24(22)30-15-13-26(14-16-30)23(17-29-25(26)31)19-7-11-21(28)12-8-19/h5-12,22-24H,1-4,13-17H2,(H,29,31)/t22-,23+,24-/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]naloxone from mu opioid receptor expressed in BHK cells


Bioorg Med Chem Lett 16: 4305-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.064
BindingDB Entry DOI: 10.7270/Q28C9VVV
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50188804
PNG
((R)-4-(4-fluoro-phenyl)-8-[(1R,2R)-2-(4-fluoro-phe...)
Show SMILES Fc1ccc(cc1)[C@H]1CNC(=O)C11CCN(CC1)[C@@H]1CCCC[C@@H]1c1ccc(F)cc1
Show InChI InChI=1S/C26H30F2N2O/c27-20-9-5-18(6-10-20)22-3-1-2-4-24(22)30-15-13-26(14-16-30)23(17-29-25(26)31)19-7-11-21(28)12-8-19/h5-12,22-24H,1-4,13-17H2,(H,29,31)/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 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4305-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.064
BindingDB Entry DOI: 10.7270/Q28C9VVV
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50188361
PNG
(4-phenyl-8-(2-phenyl-cyclohexyl)-2,8-diaza-spiro[4...)
Show SMILES O=C1NCC(c2ccccc2)C11CCN(CC1)C1CCCCC1c1ccccc1
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)
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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: 4305-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.064
BindingDB Entry DOI: 10.7270/Q28C9VVV
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50188805
PNG
((R)-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 2.88E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at GlyT1


Bioorg Med Chem Lett 16: 4305-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.064
BindingDB Entry DOI: 10.7270/Q28C9VVV
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50188808
PNG
(4-(4-methoxy-phenyl)-8-(2-p-tolyl-cyclohexyl)-2,8-...)
Show SMILES COc1ccc(cc1)C1CNC(=O)C11CCN(CC1)C1CCCCC1c1ccc(C)cc1
Show InChI InChI=1S/C28H36N2O2/c1-20-7-9-21(10-8-20)24-5-3-4-6-26(24)30-17-15-28(16-18-30)25(19-29-27(28)31)22-11-13-23(32-2)14-12-22/h7-14,24-26H,3-6,15-19H2,1-2H3,(H,29,31)
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n/an/an/an/a 1.13E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at GlyT1


Bioorg Med Chem Lett 16: 4305-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.064
BindingDB Entry DOI: 10.7270/Q28C9VVV
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50188361
PNG
(4-phenyl-8-(2-phenyl-cyclohexyl)-2,8-diaza-spiro[4...)
Show SMILES O=C1NCC(c2ccccc2)C11CCN(CC1)C1CCCCC1c1ccccc1
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)
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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 GlyT1


Bioorg Med Chem Lett 16: 4305-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.064
BindingDB Entry DOI: 10.7270/Q28C9VVV
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50188809
PNG
((S)-4-phenyl-8-((1S,2S)-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-/m0/s1
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n/an/an/an/a 3.96E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at GlyT2


Bioorg Med Chem Lett 16: 4305-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.064
BindingDB Entry DOI: 10.7270/Q28C9VVV
More data for this
Ligand-Target Pair
Glycine transporter 2


(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 1.20E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at GlyT2


Bioorg Med Chem Lett 16: 4305-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.064
BindingDB Entry DOI: 10.7270/Q28C9VVV
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50188813
PNG
((S)-4-(4-fluoro-phenyl)-8-[(1S,2S)-2-(4-fluoro-phe...)
Show SMILES Fc1ccc(cc1)[C@@H]1CNC(=O)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccc(F)cc1
Show InChI InChI=1S/C26H30F2N2O/c27-20-9-5-18(6-10-20)22-3-1-2-4-24(22)30-15-13-26(14-16-30)23(17-29-25(26)31)19-7-11-21(28)12-8-19/h5-12,22-24H,1-4,13-17H2,(H,29,31)/t22-,23-,24-/m0/s1
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n/an/an/an/a 1.06E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at GlyT1


Bioorg Med Chem Lett 16: 4305-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.064
BindingDB Entry DOI: 10.7270/Q28C9VVV
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50188815
PNG
(8-[2-(4-fluoro-phenyl)-cyclohexyl]-4-(4-methoxy-ph...)
Show SMILES COc1ccc(cc1)C1CNC(=O)C11CCN(CC1)C1CCCCC1c1ccc(F)cc1
Show InChI InChI=1S/C27H33FN2O2/c1-32-22-12-8-20(9-13-22)24-18-29-26(31)27(24)14-16-30(17-15-27)25-5-3-2-4-23(25)19-6-10-21(28)11-7-19/h6-13,23-25H,2-5,14-18H2,1H3,(H,29,31)
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n/an/an/an/a 113n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at GlyT1


Bioorg Med Chem Lett 16: 4305-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.064
BindingDB Entry DOI: 10.7270/Q28C9VVV
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50188810
PNG
((R)-4-phenyl-8-((1S,2S)-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-/m0/s1
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n/an/an/an/a 61n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at GlyT1


Bioorg Med Chem Lett 16: 4305-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.064
BindingDB Entry DOI: 10.7270/Q28C9VVV
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 26n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at GlyT1


Bioorg Med Chem Lett 16: 4305-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.064
BindingDB Entry DOI: 10.7270/Q28C9VVV
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50188809
PNG
((S)-4-phenyl-8-((1S,2S)-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-/m0/s1
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n/an/an/an/a 246n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at GlyT1


Bioorg Med Chem Lett 16: 4305-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.064
BindingDB Entry DOI: 10.7270/Q28C9VVV
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50188804
PNG
((R)-4-(4-fluoro-phenyl)-8-[(1R,2R)-2-(4-fluoro-phe...)
Show SMILES Fc1ccc(cc1)[C@H]1CNC(=O)C11CCN(CC1)[C@@H]1CCCC[C@@H]1c1ccc(F)cc1
Show InChI InChI=1S/C26H30F2N2O/c27-20-9-5-18(6-10-20)22-3-1-2-4-24(22)30-15-13-26(14-16-30)23(17-29-25(26)31)19-7-11-21(28)12-8-19/h5-12,22-24H,1-4,13-17H2,(H,29,31)/t22-,23-,24-/m1/s1
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n/an/an/an/a 36n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at GlyT1


Bioorg Med Chem Lett 16: 4305-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.064
BindingDB Entry DOI: 10.7270/Q28C9VVV
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50188811
PNG
((R)-4-(4-fluoro-phenyl)-8-[(1S,2S)-2-(4-fluoro-phe...)
Show SMILES Fc1ccc(cc1)[C@H]1CNC(=O)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccc(F)cc1
Show InChI InChI=1S/C26H30F2N2O/c27-20-9-5-18(6-10-20)22-3-1-2-4-24(22)30-15-13-26(14-16-30)23(17-29-25(26)31)19-7-11-21(28)12-8-19/h5-12,22-24H,1-4,13-17H2,(H,29,31)/t22-,23+,24-/m0/s1
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n/an/an/an/a 8.36E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at GlyT2


Bioorg Med Chem Lett 16: 4305-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.064
BindingDB Entry DOI: 10.7270/Q28C9VVV
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 2.83E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at GlyT1


Bioorg Med Chem Lett 16: 4305-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.064
BindingDB Entry DOI: 10.7270/Q28C9VVV
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50188812
PNG
(4-(4-fluoro-phenyl)-8-[2-(4-trifluoromethyl-phenyl...)
Show SMILES Fc1ccc(cc1)C1CNC(=O)C11CCN(CC1)C1CCCCC1c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C27H30F4N2O/c28-21-11-7-19(8-12-21)23-17-32-25(34)26(23)13-15-33(16-14-26)24-4-2-1-3-22(24)18-5-9-20(10-6-18)27(29,30)31/h5-12,22-24H,1-4,13-17H2,(H,32,34)
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n/an/an/an/a 2.33E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at GlyT1


Bioorg Med Chem Lett 16: 4305-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.064
BindingDB Entry DOI: 10.7270/Q28C9VVV
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50188804
PNG
((R)-4-(4-fluoro-phenyl)-8-[(1R,2R)-2-(4-fluoro-phe...)
Show SMILES Fc1ccc(cc1)[C@H]1CNC(=O)C11CCN(CC1)[C@@H]1CCCC[C@@H]1c1ccc(F)cc1
Show InChI InChI=1S/C26H30F2N2O/c27-20-9-5-18(6-10-20)22-3-1-2-4-24(22)30-15-13-26(14-16-30)23(17-29-25(26)31)19-7-11-21(28)12-8-19/h5-12,22-24H,1-4,13-17H2,(H,29,31)/t22-,23-,24-/m1/s1
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n/an/an/an/a 4.00E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at GlyT2


Bioorg Med Chem Lett 16: 4305-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.064
BindingDB Entry DOI: 10.7270/Q28C9VVV
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50188806
PNG
((S)-4-(4-fluoro-phenyl)-8-[(1R,2R)-2-(4-fluoro-phe...)
Show SMILES Fc1ccc(cc1)[C@@H]1CNC(=O)C11CCN(CC1)[C@@H]1CCCC[C@@H]1c1ccc(F)cc1
Show InChI InChI=1S/C26H30F2N2O/c27-20-9-5-18(6-10-20)22-3-1-2-4-24(22)30-15-13-26(14-16-30)23(17-29-25(26)31)19-7-11-21(28)12-8-19/h5-12,22-24H,1-4,13-17H2,(H,29,31)/t22-,23+,24-/m1/s1
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n/an/an/an/a 1.67E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at GlyT2


Bioorg Med Chem Lett 16: 4305-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.064
BindingDB Entry DOI: 10.7270/Q28C9VVV
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50188811
PNG
((R)-4-(4-fluoro-phenyl)-8-[(1S,2S)-2-(4-fluoro-phe...)
Show SMILES Fc1ccc(cc1)[C@H]1CNC(=O)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccc(F)cc1
Show InChI InChI=1S/C26H30F2N2O/c27-20-9-5-18(6-10-20)22-3-1-2-4-24(22)30-15-13-26(14-16-30)23(17-29-25(26)31)19-7-11-21(28)12-8-19/h5-12,22-24H,1-4,13-17H2,(H,29,31)/t22-,23+,24-/m0/s1
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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 GlyT1


Bioorg Med Chem Lett 16: 4305-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.064
BindingDB Entry DOI: 10.7270/Q28C9VVV
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50188814
PNG
(8-[2-(4-fluoro-phenyl)-cyclohexyl]-4-phenyl-2,8-di...)
Show SMILES Fc1ccc(cc1)C1CCCCC1N1CCC2(CC1)C(CNC2=O)c1ccccc1
Show InChI InChI=1S/C26H31FN2O/c27-21-12-10-19(11-13-21)22-8-4-5-9-24(22)29-16-14-26(15-17-29)23(18-28-25(26)30)20-6-2-1-3-7-20/h1-3,6-7,10-13,22-24H,4-5,8-9,14-18H2,(H,28,30)
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n/an/an/an/a 167n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at GlyT1


Bioorg Med Chem Lett 16: 4305-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.064
BindingDB Entry DOI: 10.7270/Q28C9VVV
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50188807
PNG
(4-(3,4-dichloro-phenyl)-8-[2-(4-fluoro-phenyl)-cyc...)
Show SMILES Fc1ccc(cc1)C1CCCCC1N1CCC2(CC1)C(CNC2=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C26H29Cl2FN2O/c27-22-10-7-18(15-23(22)28)21-16-30-25(32)26(21)11-13-31(14-12-26)24-4-2-1-3-20(24)17-5-8-19(29)9-6-17/h5-10,15,20-21,24H,1-4,11-14,16H2,(H,30,32)
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n/an/an/an/a 270n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at GlyT1


Bioorg Med Chem Lett 16: 4305-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.064
BindingDB Entry DOI: 10.7270/Q28C9VVV
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50188361
PNG
(4-phenyl-8-(2-phenyl-cyclohexyl)-2,8-diaza-spiro[4...)
Show SMILES O=C1NCC(c2ccccc2)C11CCN(CC1)C1CCCCC1c1ccccc1
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)
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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 GlyT2


Bioorg Med Chem Lett 16: 4305-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.064
BindingDB Entry DOI: 10.7270/Q28C9VVV
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50188813
PNG
((S)-4-(4-fluoro-phenyl)-8-[(1S,2S)-2-(4-fluoro-phe...)
Show SMILES Fc1ccc(cc1)[C@@H]1CNC(=O)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccc(F)cc1
Show InChI InChI=1S/C26H30F2N2O/c27-20-9-5-18(6-10-20)22-3-1-2-4-24(22)30-15-13-26(14-16-30)23(17-29-25(26)31)19-7-11-21(28)12-8-19/h5-12,22-24H,1-4,13-17H2,(H,29,31)/t22-,23-,24-/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 at GlyT2


Bioorg Med Chem Lett 16: 4305-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.064
BindingDB Entry DOI: 10.7270/Q28C9VVV
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50188806
PNG
((S)-4-(4-fluoro-phenyl)-8-[(1R,2R)-2-(4-fluoro-phe...)
Show SMILES Fc1ccc(cc1)[C@@H]1CNC(=O)C11CCN(CC1)[C@@H]1CCCC[C@@H]1c1ccc(F)cc1
Show InChI InChI=1S/C26H30F2N2O/c27-20-9-5-18(6-10-20)22-3-1-2-4-24(22)30-15-13-26(14-16-30)23(17-29-25(26)31)19-7-11-21(28)12-8-19/h5-12,22-24H,1-4,13-17H2,(H,29,31)/t22-,23+,24-/m1/s1
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PubMed
n/an/an/an/a 43n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at GlyT1


Bioorg Med Chem Lett 16: 4305-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.064
BindingDB Entry DOI: 10.7270/Q28C9VVV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%