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Compile Data Set for Download or QSAR

Found 735 hits with Last Name = 'alberati' and Initial = 'd'   
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))
BDBM50188855
PNG
(1-phenyl-8-(1-phenyl-cyclohexyl)-1,3,8-triaza-spir...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)C1(CCCCC1)c1ccccc1
Show InChI InChI=1S/C25H31N3O/c29-23-25(28(20-26-23)22-12-6-2-7-13-22)16-18-27(19-17-25)24(14-8-3-9-15-24)21-10-4-1-5-11-21/h1-2,4-7,10-13H,3,8-9,14-20H2,(H,26,29)
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n/an/a 15n/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: 4321-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.063
BindingDB Entry DOI: 10.7270/Q2P26ZXG
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50188855
PNG
(1-phenyl-8-(1-phenyl-cyclohexyl)-1,3,8-triaza-spir...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)C1(CCCCC1)c1ccccc1
Show InChI InChI=1S/C25H31N3O/c29-23-25(28(20-26-23)22-12-6-2-7-13-22)16-18-27(19-17-25)24(14-8-3-9-15-24)21-10-4-1-5-11-21/h1-2,4-7,10-13H,3,8-9,14-20H2,(H,26,29)
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n/an/a 15n/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: 4321-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.063
BindingDB Entry DOI: 10.7270/Q2P26ZXG
More data for this
Ligand-Target Pair
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
Nociceptin receptor


(Homo sapiens (human))
BDBM50175961
PNG
(8-((trans, rac)-2-hydroxy-2-phenyl-cyclohexyl)-1-p...)
Show SMILES O[C@]1(CCCC[C@@H]1N1CCC2(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)/t22-,25+/m0/s1
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n/an/a 130n/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: 354-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX
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))
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
Inhibitory activity at human mu opioid receptor in BHK cells by GTPgammaS binding assay


Bioorg Med Chem Lett 16: 354-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX
More data for this
Ligand-Target Pair
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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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))
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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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
Glycine transporter 1


(Homo sapiens (Human))
BDBM50263360
PNG
(CHEMBL476555 | N-(2-(7-chloro-1-methyl-2-oxo-5-phe...)
Show SMILES COc1ccc(CCC(=O)NCC(=O)N2CC(=O)N(C)c3ccc(Cl)cc3C2c2ccccc2)cc1
Show InChI InChI=1S/C28H28ClN3O4/c1-31-24-14-11-21(29)16-23(24)28(20-6-4-3-5-7-20)32(18-27(31)35)26(34)17-30-25(33)15-10-19-8-12-22(36-2)13-9-19/h3-9,11-14,16,28H,10,15,17-18H2,1-2H3,(H,30,33)
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n/an/a 154n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human glycine transporter 1


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
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
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50175940
PNG
(8-((cis, rac)-2-hydroxy-2-o-tolyl-cyclohexyl)-1-ph...)
Show SMILES Cc1ccccc1[C@]1(O)CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C26H33N3O2/c1-20-9-5-6-12-22(20)26(31)14-8-7-13-23(26)28-17-15-25(16-18-28)24(30)27-19-29(25)21-10-3-2-4-11-21/h2-6,9-12,23,31H,7-8,13-19H2,1H3,(H,27,30)/t23-,26-/m1/s1
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n/an/a 260n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity at human mu opioid receptor in BHK cells by GTPgammaS binding assay


Bioorg Med Chem Lett 16: 354-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX
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
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 310n/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: 354-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX
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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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))
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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F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity at human mu opioid receptor in BHK cells by GTPgammaS binding assay


Bioorg Med Chem Lett 16: 354-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


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



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by patch clamp assay


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


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



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2008.07.086
BindingDB Entry DOI: 10.7270/Q28915PM
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50322424
PNG
(3-Fluoro-4-[4-(2-isobutoxy-5-methanesulfonyl-benzo...)
Show SMILES CC(C)COc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1F)C#N)S(C)(=O)=O
Show InChI InChI=1S/C23H26FN3O4S/c1-16(2)15-31-22-7-5-18(32(3,29)30)13-19(22)23(28)27-10-8-26(9-11-27)21-6-4-17(14-25)12-20(21)24/h4-7,12-13,16H,8-11,15H2,1-3H3
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n/an/a 700n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by patch clamp assay


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50175947
PNG
(8-((cis, rac)-2-hydroxy-2-pyridin-4-yl-cyclohexyl)...)
Show SMILES O[C@]1(CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccncc1
Show InChI InChI=1S/C24H30N4O2/c29-22-23(28(18-26-22)20-6-2-1-3-7-20)12-16-27(17-13-23)21-8-4-5-11-24(21,30)19-9-14-25-15-10-19/h1-3,6-7,9-10,14-15,21,30H,4-5,8,11-13,16-18H2,(H,26,29)/t21-,24-/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity at human mu opioid receptor in BHK cells by GTPgammaS binding assay


Bioorg Med Chem Lett 16: 354-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50175940
PNG
(8-((cis, rac)-2-hydroxy-2-o-tolyl-cyclohexyl)-1-ph...)
Show SMILES Cc1ccccc1[C@]1(O)CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C26H33N3O2/c1-20-9-5-6-12-22(20)26(31)14-8-7-13-23(26)28-17-15-25(16-18-28)24(30)27-19-29(25)21-10-3-2-4-11-21/h2-6,9-12,23,31H,7-8,13-19H2,1H3,(H,27,30)/t23-,26-/m1/s1
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n/an/a 1.00E+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: 354-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50175956
PNG
(8-[(cis, rac)-2-(4-fluoro-phenyl)-2-hydroxy-cycloh...)
Show SMILES O[C@]1(CCCC[C@H]1N1CCC2(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)/t22-,25-/m1/s1
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n/an/a 1.00E+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: 354-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM50175958
PNG
(8-[(cis, rac)-2-(4-chloro-phenyl)-2-hydroxy-cycloh...)
Show SMILES O[C@]1(CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H30ClN3O2/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)/t22-,25-/m1/s1
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n/an/a 1.00E+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: 354-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50175951
PNG
(8-[(cis, rac)-2-(3-chloro-phenyl)-2-hydroxy-cycloh...)
Show SMILES O[C@]1(CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1cccc(Cl)c1
Show InChI InChI=1S/C25H30ClN3O2/c26-20-8-6-7-19(17-20)25(31)12-5-4-11-22(25)28-15-13-24(14-16-28)23(30)27-18-29(24)21-9-2-1-3-10-21/h1-3,6-10,17,22,31H,4-5,11-16,18H2,(H,27,30)/t22-,25-/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
Inhibitory activity at human mu opioid receptor in BHK cells by GTPgammaS binding assay


Bioorg Med Chem Lett 16: 354-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX
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
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50322428
PNG
(CHEMBL1171498 | rac-4-{4-[5-Methanesulfonyl-2-(2,2...)
Show SMILES CC(Oc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1)C#N)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C22H22F3N3O4S/c1-15(22(23,24)25)32-20-8-7-18(33(2,30)31)13-19(20)21(29)28-11-9-27(10-12-28)17-5-3-16(14-26)4-6-17/h3-8,13,15H,9-12H2,1-2H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by patch clamp assay


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50188849
PNG
(4-(4-fluoro-phenyl)-8-[1-(4-fluoro-phenyl)-cyclohe...)
Show SMILES Fc1ccc(cc1)C1CNC(=O)C11CCN(CC1)C1(CCCCC1)c1ccc(F)cc1
Show InChI InChI=1S/C26H30F2N2O/c27-21-8-4-19(5-9-21)23-18-29-24(31)25(23)14-16-30(17-15-25)26(12-2-1-3-13-26)20-6-10-22(28)11-7-20/h4-11,23H,1-3,12-18H2,(H,29,31)
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n/an/a 1.30E+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: 4321-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.063
BindingDB Entry DOI: 10.7270/Q2P26ZXG
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
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50175949
PNG
(8-((cis, rac)-2-hydroxy-2-pyridin-2-yl-cyclohexyl)...)
Show SMILES O[C@]1(CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccn1
Show InChI InChI=1S/C24H30N4O2/c29-22-23(28(18-26-22)19-8-2-1-3-9-19)13-16-27(17-14-23)21-11-4-6-12-24(21,30)20-10-5-7-15-25-20/h1-3,5,7-10,15,21,30H,4,6,11-14,16-18H2,(H,26,29)/t21-,24-/m1/s1
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n/an/a 1.42E+3n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity at human mu opioid receptor in BHK cells by GTPgammaS binding assay


Bioorg Med Chem Lett 16: 354-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX
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))
BDBM50175961
PNG
(8-((trans, rac)-2-hydroxy-2-phenyl-cyclohexyl)-1-p...)
Show SMILES O[C@]1(CCCC[C@@H]1N1CCC2(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)/t22-,25+/m0/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity at human mu opioid receptor in BHK cells by GTPgammaS binding assay


Bioorg Med Chem Lett 16: 354-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50175941
PNG
(8-((cis, rac)-2-hydroxy-2-pyridin-3-yl-cyclohexyl)...)
Show SMILES O[C@]1(CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1cccnc1
Show InChI InChI=1S/C24H30N4O2/c29-22-23(28(18-26-22)20-8-2-1-3-9-20)12-15-27(16-13-23)21-10-4-5-11-24(21,30)19-7-6-14-25-17-19/h1-3,6-9,14,17,21,30H,4-5,10-13,15-16,18H2,(H,26,29)/t21-,24-/m1/s1
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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
Inhibitory activity at human mu opioid receptor in BHK cells by GTPgammaS binding assay


Bioorg Med Chem Lett 16: 354-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX
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))
BDBM50188843
PNG
(8-(1-phenyl-cyclohexyl)-4-propyl-2,8-diaza-spiro[4...)
Show SMILES CCCC1CNC(=O)C11CCN(CC1)C1(CCCCC1)c1ccccc1
Show InChI InChI=1S/C23H34N2O/c1-2-9-20-18-24-21(26)22(20)14-16-25(17-15-22)23(12-7-4-8-13-23)19-10-5-3-6-11-19/h3,5-6,10-11,20H,2,4,7-9,12-18H2,1H3,(H,24,26)
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n/an/a 1.87E+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: 4321-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.063
BindingDB Entry DOI: 10.7270/Q2P26ZXG
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50188843
PNG
(8-(1-phenyl-cyclohexyl)-4-propyl-2,8-diaza-spiro[4...)
Show SMILES CCCC1CNC(=O)C11CCN(CC1)C1(CCCCC1)c1ccccc1
Show InChI InChI=1S/C23H34N2O/c1-2-9-20-18-24-21(26)22(20)14-16-25(17-15-22)23(12-7-4-8-13-23)19-10-5-3-6-11-19/h3,5-6,10-11,20H,2,4,7-9,12-18H2,1H3,(H,24,26)
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n/an/a 1.87E+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: 4321-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.063
BindingDB Entry DOI: 10.7270/Q2P26ZXG
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50322426
PNG
(3-Fluoro-4-{4-[5-methanesulfonyl-2-(2,2,2-trifluor...)
Show SMILES CS(=O)(=O)c1ccc(OCC(F)(F)F)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1F)C#N
Show InChI InChI=1S/C21H19F4N3O4S/c1-33(30,31)15-3-5-19(32-13-21(23,24)25)16(11-15)20(29)28-8-6-27(7-9-28)18-4-2-14(12-26)10-17(18)22/h2-5,10-11H,6-9,13H2,1H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by patch clamp assay


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50175959
PNG
(8-[(cis, rac)-2-hydroxy-2-(3-methoxy-phenyl)-cyclo...)
Show SMILES COc1cccc(c1)[C@]1(O)CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C26H33N3O3/c1-32-22-11-7-8-20(18-22)26(31)13-6-5-12-23(26)28-16-14-25(15-17-28)24(30)27-19-29(25)21-9-3-2-4-10-21/h2-4,7-11,18,23,31H,5-6,12-17,19H2,1H3,(H,27,30)/t23-,26-/m1/s1
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n/an/a 2.17E+3n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity at human mu opioid receptor in BHK cells by GTPgammaS binding assay


Bioorg Med Chem Lett 16: 354-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50175962
PNG
(1-(4-chloro-phenyl)-8-[(cis, rac)-2-(4-fluoro-phen...)
Show SMILES O[C@]1(CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccc(Cl)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C25H29ClFN3O2/c26-19-6-10-21(11-7-19)30-17-28-23(31)24(30)13-15-29(16-14-24)22-3-1-2-12-25(22,32)18-4-8-20(27)9-5-18/h4-11,22,32H,1-3,12-17H2,(H,28,31)/t22-,25-/m1/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
Inhibitory activity at human mu opioid receptor in BHK cells by GTPgammaS binding assay


Bioorg Med Chem Lett 16: 354-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX
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))
BDBM50175945
PNG
(8-[(cis, rac)-2-(4-chloro-phenyl)-2-hydroxy-cycloh...)
Show SMILES O[C@]1(CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccc(F)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H29ClFN3O2/c26-19-6-4-18(5-7-19)25(32)12-2-1-3-22(25)29-15-13-24(14-16-29)23(31)28-17-30(24)21-10-8-20(27)9-11-21/h4-11,22,32H,1-3,12-17H2,(H,28,31)/t22-,25-/m1/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity at human mu opioid receptor in BHK cells by GTPgammaS binding assay


Bioorg Med Chem Lett 16: 354-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50175952
PNG
(8-[(cis, rac)-2-hydroxy-2-(4-methoxy-phenyl)-cyclo...)
Show SMILES COc1ccc(cc1)[C@]1(O)CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C26H33N3O3/c1-32-22-12-10-20(11-13-22)26(31)14-6-5-9-23(26)28-17-15-25(16-18-28)24(30)27-19-29(25)21-7-3-2-4-8-21/h2-4,7-8,10-13,23,31H,5-6,9,14-19H2,1H3,(H,27,30)/t23-,26-/m1/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity at human mu opioid receptor in BHK cells by GTPgammaS binding assay


Bioorg Med Chem Lett 16: 354-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50175943
PNG
(8-((cis, rac)-3-hydroxy-3-phenyl-tetrahydro-pyran-...)
Show SMILES O[C@]1(COCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H29N3O3/c28-22-23(27(18-25-22)20-9-5-2-6-10-20)12-14-26(15-13-23)21-11-16-30-17-24(21,29)19-7-3-1-4-8-19/h1-10,21,29H,11-18H2,(H,25,28)/t21-,24-/m1/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity at human mu opioid receptor in BHK cells by GTPgammaS binding assay


Bioorg Med Chem Lett 16: 354-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX
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))
BDBM50175955
PNG
(8-((cis, rac)-2-hydroxy-2-phenyl-cyclohexyl)-1-phe...)
Show SMILES O[C@]1(CCCC[C@H]1N1CCC2(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)/t22-,25-/m1/s1
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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
Inhibitory activity at human mu opioid receptor in BHK cells by GTPgammaS binding assay


Bioorg Med Chem Lett 16: 354-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50188843
PNG
(8-(1-phenyl-cyclohexyl)-4-propyl-2,8-diaza-spiro[4...)
Show SMILES CCCC1CNC(=O)C11CCN(CC1)C1(CCCCC1)c1ccccc1
Show InChI InChI=1S/C23H34N2O/c1-2-9-20-18-24-21(26)22(20)14-16-25(17-15-22)23(12-7-4-8-13-23)19-10-5-3-6-11-19/h3,5-6,10-11,20H,2,4,7-9,12-18H2,1H3,(H,24,26)
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n/an/a 2.73E+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: 4321-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.063
BindingDB Entry DOI: 10.7270/Q2P26ZXG
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50322427
PNG
(CHEMBL1172999 | rac-Fluoro-4-{4-[5-methanesulfonyl...)
Show SMILES CC(Oc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1F)C#N)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C22H21F4N3O4S/c1-14(22(24,25)26)33-20-6-4-16(34(2,31)32)12-17(20)21(30)29-9-7-28(8-10-29)19-5-3-15(13-27)11-18(19)23/h3-6,11-12,14H,7-10H2,1-2H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by patch clamp assay


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50175944
PNG
(8-((cis, rac)-2-hydroxy-2-p-tolyl-cyclohexyl)-1-ph...)
Show SMILES Cc1ccc(cc1)[C@]1(O)CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C26H33N3O2/c1-20-10-12-21(13-11-20)26(31)14-6-5-9-23(26)28-17-15-25(16-18-28)24(30)27-19-29(25)22-7-3-2-4-8-22/h2-4,7-8,10-13,23,31H,5-6,9,14-19H2,1H3,(H,27,30)/t23-,26-/m1/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity at human mu opioid receptor in BHK cells by GTPgammaS binding assay


Bioorg Med Chem Lett 16: 354-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50188879
PNG
(CHEMBL214057 | rac-8-[1-(4-fluoro-phenyl)-cyclohex...)
Show SMILES CCCC1CNC(=O)C11CCN(CC1)C1(CCCCC1)c1ccc(F)cc1
Show InChI InChI=1S/C23H33FN2O/c1-2-6-19-17-25-21(27)22(19)13-15-26(16-14-22)23(11-4-3-5-12-23)18-7-9-20(24)10-8-18/h7-10,19H,2-6,11-17H2,1H3,(H,25,27)
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n/an/a 3.03E+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: 4321-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.063
BindingDB Entry DOI: 10.7270/Q2P26ZXG
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
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50322425
PNG
(3-Fluoro-4-[4-(2-isopropoxy-5-methanesulfonyl-benz...)
Show SMILES CC(C)Oc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1F)C#N)S(C)(=O)=O
Show InChI InChI=1S/C22H24FN3O4S/c1-15(2)30-21-7-5-17(31(3,28)29)13-18(21)22(27)26-10-8-25(9-11-26)20-6-4-16(14-24)12-19(20)23/h4-7,12-13,15H,8-11H2,1-3H3
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n/an/a 3.30E+3n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by patch clamp assay


J Med Chem 53: 4603-14 (2010)


Article DOI: 10.1021/jm100210p
BindingDB Entry DOI: 10.7270/Q28916TT
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
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