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PubMed code 19963380

Compile data set for download or QSAR
Found 38 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
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50160160
PNG
((S)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-...)
Show SMILES COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23
Show InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1
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2n/an/an/an/an/an/an/an/a



Hunter College and the Graduate Center of the City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]Prazosin from human adrenergic alpha1A receptor


Bioorg Med Chem Lett 20: 628-31 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.053
BindingDB Entry DOI: 10.7270/Q2C53MT3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50160160
PNG
((S)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-...)
Show SMILES COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23
Show InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1
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49n/an/an/an/an/an/an/an/a



Hunter College and the Graduate Center of the City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]GR127543 from human 5HT1D receptor


Bioorg Med Chem Lett 20: 628-31 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.053
BindingDB Entry DOI: 10.7270/Q2C53MT3
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50160160
PNG
((S)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-...)
Show SMILES COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23
Show InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1
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67n/an/an/an/an/an/an/an/a



Hunter College and the Graduate Center of the City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT7 receptor


Bioorg Med Chem Lett 20: 628-31 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.053
BindingDB Entry DOI: 10.7270/Q2C53MT3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50160160
PNG
((S)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-...)
Show SMILES COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23
Show InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1
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100n/an/an/an/an/an/an/an/a



Hunter College and the Graduate Center of the City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]GR127543 from human 5HT1B receptor


Bioorg Med Chem Lett 20: 628-31 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.053
BindingDB Entry DOI: 10.7270/Q2C53MT3
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50160160
PNG
((S)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-...)
Show SMILES COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23
Show InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1
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181n/an/an/an/an/an/an/an/a



Hunter College and the Graduate Center of the City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]Clonidine from human adrenergic Alpha-2C receptor


Bioorg Med Chem Lett 20: 628-31 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.053
BindingDB Entry DOI: 10.7270/Q2C53MT3
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50160160
PNG
((S)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-...)
Show SMILES COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23
Show InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1
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244n/an/an/an/an/an/an/an/a



Hunter College and the Graduate Center of the City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]Citalopram from human SERT


Bioorg Med Chem Lett 20: 628-31 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.053
BindingDB Entry DOI: 10.7270/Q2C53MT3
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50160160
PNG
((S)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-...)
Show SMILES COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23
Show InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1
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252n/an/an/an/an/an/an/an/a



Hunter College and the Graduate Center of the City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]Clonidine from human adrenergic alpha2B receptor


Bioorg Med Chem Lett 20: 628-31 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.053
BindingDB Entry DOI: 10.7270/Q2C53MT3
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50160160
PNG
((S)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-...)
Show SMILES COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23
Show InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1
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257n/an/an/an/an/an/an/an/a



Hunter College and the Graduate Center of the City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT6 receptor


Bioorg Med Chem Lett 20: 628-31 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.053
BindingDB Entry DOI: 10.7270/Q2C53MT3
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50160160
PNG
((S)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-...)
Show SMILES COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23
Show InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1
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262n/an/an/an/an/an/an/an/a



Hunter College and the Graduate Center of the City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D4 receptor


Bioorg Med Chem Lett 20: 628-31 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.053
BindingDB Entry DOI: 10.7270/Q2C53MT3
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50160160
PNG
((S)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-...)
Show SMILES COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23
Show InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1
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309n/an/an/an/an/an/an/an/a



Hunter College and the Graduate Center of the City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D3 receptor


Bioorg Med Chem Lett 20: 628-31 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.053
BindingDB Entry DOI: 10.7270/Q2C53MT3
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50160160
PNG
((S)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-...)
Show SMILES COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23
Show InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1
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340n/an/an/an/an/an/an/an/a



Hunter College and the Graduate Center of the City University of New York

Curated by ChEMBL


Assay Description
Binding affinity to human adrenergic Alpha-1D receptor


Bioorg Med Chem Lett 20: 628-31 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.053
BindingDB Entry DOI: 10.7270/Q2C53MT3
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50160160
PNG
((S)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-...)
Show SMILES COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23
Show InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1
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543n/an/an/an/an/an/an/an/a



Hunter College and the Graduate Center of the City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT2B receptor


Bioorg Med Chem Lett 20: 628-31 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.053
BindingDB Entry DOI: 10.7270/Q2C53MT3
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50160160
PNG
((S)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-...)
Show SMILES COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23
Show InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1
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672n/an/an/an/an/an/an/an/a



Hunter College and the Graduate Center of the City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]Tiotidine from human histamine H2 receptor


Bioorg Med Chem Lett 20: 628-31 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.053
BindingDB Entry DOI: 10.7270/Q2C53MT3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50160160
PNG
((S)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-...)
Show SMILES COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23
Show InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1
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832n/an/an/an/an/an/an/an/a



Hunter College and the Graduate Center of the City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from human 5HT2A receptor


Bioorg Med Chem Lett 20: 628-31 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.053
BindingDB Entry DOI: 10.7270/Q2C53MT3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50160160
PNG
((S)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-...)
Show SMILES COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23
Show InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1
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858n/an/an/an/an/an/an/an/a



Hunter College and the Graduate Center of the City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D2 receptor


Bioorg Med Chem Lett 20: 628-31 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.053
BindingDB Entry DOI: 10.7270/Q2C53MT3
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50160160
PNG
((S)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-...)
Show SMILES COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23
Show InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1
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895n/an/an/an/an/an/an/an/a



Hunter College and the Graduate Center of the City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH233930 from human dopamine D1 receptor


Bioorg Med Chem Lett 20: 628-31 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.053
BindingDB Entry DOI: 10.7270/Q2C53MT3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50160160
PNG
((S)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-...)
Show SMILES COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23
Show InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1
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1.07E+3n/an/an/an/an/an/an/an/a



Hunter College and the Graduate Center of the City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human 5HT2C receptor


Bioorg Med Chem Lett 20: 628-31 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.053
BindingDB Entry DOI: 10.7270/Q2C53MT3
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50160160
PNG
((S)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-...)
Show SMILES COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23
Show InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1
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1.19E+3n/an/an/an/an/an/an/an/a



Hunter College and the Graduate Center of the City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]Prazosin from human adrenergic Alpha-1B receptor


Bioorg Med Chem Lett 20: 628-31 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.053
BindingDB Entry DOI: 10.7270/Q2C53MT3
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50160160
PNG
((S)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-...)
Show SMILES COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23
Show InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1
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1.29E+3n/an/an/an/an/an/an/an/a



Hunter College and the Graduate Center of the City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]Clonidine from human adrenergic alpha2A receptor


Bioorg Med Chem Lett 20: 628-31 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.053
BindingDB Entry DOI: 10.7270/Q2C53MT3
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50160160
PNG
((S)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-...)
Show SMILES COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23
Show InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1
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2.22E+3n/an/an/an/an/an/an/an/a



Hunter College and the Graduate Center of the City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT5A receptor


Bioorg Med Chem Lett 20: 628-31 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.053
BindingDB Entry DOI: 10.7270/Q2C53MT3
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50160160
PNG
((S)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-...)
Show SMILES COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23
Show InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1
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2.40E+3n/an/an/an/an/an/an/an/a



Hunter College and the Graduate Center of the City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH233930 from human dopamine D5 receptor


Bioorg Med Chem Lett 20: 628-31 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.053
BindingDB Entry DOI: 10.7270/Q2C53MT3
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50160160
PNG
((S)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-...)
Show SMILES COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23
Show InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1
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7.27E+3n/an/an/an/an/an/an/an/a



Hunter College and the Graduate Center of the City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR


Bioorg Med Chem Lett 20: 628-31 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.053
BindingDB Entry DOI: 10.7270/Q2C53MT3
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50160160
PNG
((S)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-...)
Show SMILES COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23
Show InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1
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8.57E+3n/an/an/an/an/an/an/an/a



Hunter College and the Graduate Center of the City University of New York

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodopindolol from human adrenergic beta-1 receptor


Bioorg Med Chem Lett 20: 628-31 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.053
BindingDB Entry DOI: 10.7270/Q2C53MT3
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50160160
PNG
((S)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-...)
Show SMILES COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23
Show InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Hunter College and the Graduate Center of the City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from human muscarinic M2 receptor


Bioorg Med Chem Lett 20: 628-31 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.053
BindingDB Entry DOI: 10.7270/Q2C53MT3
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50160160
PNG
((S)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-...)
Show SMILES COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23
Show InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Hunter College and the Graduate Center of the City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]Pyrilamine from human histamine H1 receptor


Bioorg Med Chem Lett 20: 628-31 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.053
BindingDB Entry DOI: 10.7270/Q2C53MT3
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50160160
PNG
((S)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-...)
Show SMILES COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23
Show InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Hunter College and the Graduate Center of the City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from human muscarinic M3 receptor


Bioorg Med Chem Lett 20: 628-31 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.053
BindingDB Entry DOI: 10.7270/Q2C53MT3
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50160160
PNG
((S)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-...)
Show SMILES COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23
Show InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Hunter College and the Graduate Center of the City University of New York

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodopindolol from human adrenergic beta3 receptor


Bioorg Med Chem Lett 20: 628-31 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.053
BindingDB Entry DOI: 10.7270/Q2C53MT3
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50160160
PNG
((S)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-...)
Show SMILES COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23
Show InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Hunter College and the Graduate Center of the City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]alpha-methylhistamine from human histamine H3 receptor


Bioorg Med Chem Lett 20: 628-31 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.053
BindingDB Entry DOI: 10.7270/Q2C53MT3
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50160160
PNG
((S)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-...)
Show SMILES COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23
Show InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Hunter College and the Graduate Center of the City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]Nisoxetine from human NET


Bioorg Med Chem Lett 20: 628-31 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.053
BindingDB Entry DOI: 10.7270/Q2C53MT3
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50160160
PNG
((S)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-...)
Show SMILES COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23
Show InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Hunter College and the Graduate Center of the City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from human muscarinic M4 receptor


Bioorg Med Chem Lett 20: 628-31 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.053
BindingDB Entry DOI: 10.7270/Q2C53MT3
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50160160
PNG
((S)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-...)
Show SMILES COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23
Show InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Hunter College and the Graduate Center of the City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from human muscarinic M1 receptor


Bioorg Med Chem Lett 20: 628-31 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.053
BindingDB Entry DOI: 10.7270/Q2C53MT3
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50160160
PNG
((S)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-...)
Show SMILES COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23
Show InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Hunter College and the Graduate Center of the City University of New York

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodopindolol from human adrenergic beta2 receptor


Bioorg Med Chem Lett 20: 628-31 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.053
BindingDB Entry DOI: 10.7270/Q2C53MT3
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50160160
PNG
((S)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-...)
Show SMILES COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23
Show InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Hunter College and the Graduate Center of the City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]Histamine from human histamine H4 receptor


Bioorg Med Chem Lett 20: 628-31 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.053
BindingDB Entry DOI: 10.7270/Q2C53MT3
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50160160
PNG
((S)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-...)
Show SMILES COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23
Show InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Hunter College and the Graduate Center of the City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5HT1E receptor


Bioorg Med Chem Lett 20: 628-31 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.053
BindingDB Entry DOI: 10.7270/Q2C53MT3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50160160
PNG
((S)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-...)
Show SMILES COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23
Show InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Hunter College and the Graduate Center of the City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE from human DOR


Bioorg Med Chem Lett 20: 628-31 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.053
BindingDB Entry DOI: 10.7270/Q2C53MT3
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50160160
PNG
((S)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-...)
Show SMILES COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23
Show InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Hunter College and the Graduate Center of the City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human KOR


Bioorg Med Chem Lett 20: 628-31 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.053
BindingDB Entry DOI: 10.7270/Q2C53MT3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50160160
PNG
((S)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-...)
Show SMILES COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23
Show InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Hunter College and the Graduate Center of the City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]LY278584 from human 5HT3 receptor


Bioorg Med Chem Lett 20: 628-31 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.053
BindingDB Entry DOI: 10.7270/Q2C53MT3
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50160160
PNG
((S)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-...)
Show SMILES COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23
Show InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Hunter College and the Graduate Center of the City University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from human DAT


Bioorg Med Chem Lett 20: 628-31 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.053
BindingDB Entry DOI: 10.7270/Q2C53MT3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%