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4 similar compounds to monomer 30704

Compile data set for download or QSAR
Wt: 403.5
BDBM86523
Wt: 389.4
BDBM50070184
Wt: 445.5
BDBM50070190
Wt: 445.5
BDBM50070201

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 26 hits for monomerid = 86523,50070184,50070190,50070201   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM86523
PNG
(CAS_17692-51-2 | METERGOLINE | NSC_28693)
Show SMILES CN1CC(CNC(=O)OCc2ccccc2)CC2C1Cc1cn(C)c3cccc2c13
Show InChI InChI=1/C25H29N3O2/c1-27-14-18(13-26-25(29)30-16-17-7-4-3-5-8-17)11-21-20-9-6-10-22-24(20)19(12-23(21)27)15-28(22)2/h3-10,15,18,21,23H,11-14,16H2,1-2H3,(H,26,29)
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1.78n/an/an/an/an/an/an/an/a



Vernalis Research

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 370: 114-23 (2004)


Article DOI: 10.1007/s00210-004-0951-4
BindingDB Entry DOI: 10.7270/Q2M32TBD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM86523
PNG
(CAS_17692-51-2 | METERGOLINE | NSC_28693)
Show SMILES CN1CC(CNC(=O)OCc2ccccc2)CC2C1Cc1cn(C)c3cccc2c13
Show InChI InChI=1/C25H29N3O2/c1-27-14-18(13-26-25(29)30-16-17-7-4-3-5-8-17)11-21-20-9-6-10-22-24(20)19(12-23(21)27)15-28(22)2/h3-10,15,18,21,23H,11-14,16H2,1-2H3,(H,26,29)
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1.78n/an/an/an/an/an/an/an/a



Vernalis Research

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 370: 114-23 (2004)


Article DOI: 10.1007/s00210-004-0951-4
BindingDB Entry DOI: 10.7270/Q2M32TBD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM86523
PNG
(CAS_17692-51-2 | METERGOLINE | NSC_28693)
Show SMILES CN1CC(CNC(=O)OCc2ccccc2)CC2C1Cc1cn(C)c3cccc2c13
Show InChI InChI=1/C25H29N3O2/c1-27-14-18(13-26-25(29)30-16-17-7-4-3-5-8-17)11-21-20-9-6-10-22-24(20)19(12-23(21)27)15-28(22)2/h3-10,15,18,21,23H,11-14,16H2,1-2H3,(H,26,29)
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2.29n/an/an/an/an/an/an/an/a



Vernalis Research

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 370: 114-23 (2004)


Article DOI: 10.1007/s00210-004-0951-4
BindingDB Entry DOI: 10.7270/Q2M32TBD
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50070184
PNG
(((6aR,9S,10aR)-7-Methyl-4,6,6a,7,8,9,10,10a-octahy...)
Show SMILES CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13
Show InChI InChI=1S/C24H27N3O2/c1-27-14-17(12-26-24(28)29-15-16-6-3-2-4-7-16)10-20-19-8-5-9-21-23(19)18(13-25-21)11-22(20)27/h2-9,13,17,20,22,25H,10-12,14-15H2,1H3,(H,26,28)/t17-,20+,22+/m0/s1
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6.40n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-hydroxytryptamine 7 receptor


J Med Chem 46: 2795-812 (2003)


Article DOI: 10.1021/jm030030n
BindingDB Entry DOI: 10.7270/Q2M0465F
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50070184
PNG
(((6aR,9S,10aR)-7-Methyl-4,6,6a,7,8,9,10,10a-octahy...)
Show SMILES CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13
Show InChI InChI=1S/C24H27N3O2/c1-27-14-17(12-26-24(28)29-15-16-6-3-2-4-7-16)10-20-19-8-5-9-21-23(19)18(13-25-21)11-22(20)27/h2-9,13,17,20,22,25H,10-12,14-15H2,1H3,(H,26,28)/t17-,20+,22+/m0/s1
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60n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards rat 5-hydroxytryptamine 7 receptor


J Med Chem 46: 2795-812 (2003)


Article DOI: 10.1021/jm030030n
BindingDB Entry DOI: 10.7270/Q2M0465F
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50070184
PNG
(((6aR,9S,10aR)-7-Methyl-4,6,6a,7,8,9,10,10a-octahy...)
Show SMILES CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13
Show InChI InChI=1S/C24H27N3O2/c1-27-14-17(12-26-24(28)29-15-16-6-3-2-4-7-16)10-20-19-8-5-9-21-23(19)18(13-25-21)11-22(20)27/h2-9,13,17,20,22,25H,10-12,14-15H2,1H3,(H,26,28)/t17-,20+,22+/m0/s1
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400n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 6 receptor was evaluated using [3H]-LSD as radioligand


J Med Chem 46: 2795-812 (2003)


Article DOI: 10.1021/jm030030n
BindingDB Entry DOI: 10.7270/Q2M0465F
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50070184
PNG
(((6aR,9S,10aR)-7-Methyl-4,6,6a,7,8,9,10,10a-octahy...)
Show SMILES CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13
Show InChI InChI=1S/C24H27N3O2/c1-27-14-17(12-26-24(28)29-15-16-6-3-2-4-7-16)10-20-19-8-5-9-21-23(19)18(13-25-21)11-22(20)27/h2-9,13,17,20,22,25H,10-12,14-15H2,1H3,(H,26,28)/t17-,20+,22+/m0/s1
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630n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 5A receptor was evaluated using [3H]-5-CT as radioligand


J Med Chem 46: 2795-812 (2003)


Article DOI: 10.1021/jm030030n
BindingDB Entry DOI: 10.7270/Q2M0465F
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50070184
PNG
(((6aR,9S,10aR)-7-Methyl-4,6,6a,7,8,9,10,10a-octahy...)
Show SMILES CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13
Show InChI InChI=1S/C24H27N3O2/c1-27-14-17(12-26-24(28)29-15-16-6-3-2-4-7-16)10-20-19-8-5-9-21-23(19)18(13-25-21)11-22(20)27/h2-9,13,17,20,22,25H,10-12,14-15H2,1H3,(H,26,28)/t17-,20+,22+/m0/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for rodent 5-hydroxytryptamine 5A receptor


J Med Chem 46: 2795-812 (2003)


Article DOI: 10.1021/jm030030n
BindingDB Entry DOI: 10.7270/Q2M0465F
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50070184
PNG
(((6aR,9S,10aR)-7-Methyl-4,6,6a,7,8,9,10,10a-octahy...)
Show SMILES CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13
Show InChI InChI=1S/C24H27N3O2/c1-27-14-17(12-26-24(28)29-15-16-6-3-2-4-7-16)10-20-19-8-5-9-21-23(19)18(13-25-21)11-22(20)27/h2-9,13,17,20,22,25H,10-12,14-15H2,1H3,(H,26,28)/t17-,20+,22+/m0/s1
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n/an/a 60n/an/an/an/an/an/a



Pharmacia & Upjohn S.p.A.-CNS Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampus


Bioorg Med Chem Lett 8: 1117-22 (1999)


Article DOI: 10.1016/s0960-894x(98)00166-8
BindingDB Entry DOI: 10.7270/Q2M61JF3
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50070201
PNG
(((6aR,9S,10aR)-2-tert-Butyl-7-methyl-4,6,6a,7,8,9,...)
Show SMILES CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@H]2[C@H]1Cc1c[nH]c3cc(cc2c13)C(C)(C)C
Show InChI InChI=1S/C28H35N3O2/c1-28(2,3)21-12-23-22-10-19(14-30-27(32)33-17-18-8-6-5-7-9-18)16-31(4)25(22)11-20-15-29-24(13-21)26(20)23/h5-9,12-13,15,19,22,25,29H,10-11,14,16-17H2,1-4H3,(H,30,32)/t19-,22+,25+/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Pharmacia & Upjohn S.p.A.-CNS Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampus


Bioorg Med Chem Lett 8: 1117-22 (1999)


Article DOI: 10.1016/s0960-894x(98)00166-8
BindingDB Entry DOI: 10.7270/Q2M61JF3
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50070184
PNG
(((6aR,9S,10aR)-7-Methyl-4,6,6a,7,8,9,10,10a-octahy...)
Show SMILES CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13
Show InChI InChI=1S/C24H27N3O2/c1-27-14-17(12-26-24(28)29-15-16-6-3-2-4-7-16)10-20-19-8-5-9-21-23(19)18(13-25-21)11-22(20)27/h2-9,13,17,20,22,25H,10-12,14-15H2,1H3,(H,26,28)/t17-,20+,22+/m0/s1
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n/an/a 1.42E+3n/an/an/an/an/an/a



Pharmacia & Upjohn S.p.A.-CNS Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH-23,390 from D1 receptor in rat striatum


Bioorg Med Chem Lett 8: 1117-22 (1999)


Article DOI: 10.1016/s0960-894x(98)00166-8
BindingDB Entry DOI: 10.7270/Q2M61JF3
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50070201
PNG
(((6aR,9S,10aR)-2-tert-Butyl-7-methyl-4,6,6a,7,8,9,...)
Show SMILES CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@H]2[C@H]1Cc1c[nH]c3cc(cc2c13)C(C)(C)C
Show InChI InChI=1S/C28H35N3O2/c1-28(2,3)21-12-23-22-10-19(14-30-27(32)33-17-18-8-6-5-7-9-18)16-31(4)25(22)11-20-15-29-24(13-21)26(20)23/h5-9,12-13,15,19,22,25,29H,10-11,14,16-17H2,1-4H3,(H,30,32)/t19-,22+,25+/m0/s1
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n/an/a 1.25E+3n/an/an/an/an/an/a



Pharmacia & Upjohn S.p.A.-CNS Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiroperidol from D2 receptor in rat striatum


Bioorg Med Chem Lett 8: 1117-22 (1999)


Article DOI: 10.1016/s0960-894x(98)00166-8
BindingDB Entry DOI: 10.7270/Q2M61JF3
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50070201
PNG
(((6aR,9S,10aR)-2-tert-Butyl-7-methyl-4,6,6a,7,8,9,...)
Show SMILES CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@H]2[C@H]1Cc1c[nH]c3cc(cc2c13)C(C)(C)C
Show InChI InChI=1S/C28H35N3O2/c1-28(2,3)21-12-23-22-10-19(14-30-27(32)33-17-18-8-6-5-7-9-18)16-31(4)25(22)11-20-15-29-24(13-21)26(20)23/h5-9,12-13,15,19,22,25,29H,10-11,14,16-17H2,1-4H3,(H,30,32)/t19-,22+,25+/m0/s1
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n/an/a 7.41E+3n/an/an/an/an/an/a



Pharmacia & Upjohn S.p.A.-CNS Research

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from Alpha-1 adrenergic receptor in rat frontal cortex


Bioorg Med Chem Lett 8: 1117-22 (1999)


Article DOI: 10.1016/s0960-894x(98)00166-8
BindingDB Entry DOI: 10.7270/Q2M61JF3
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50070201
PNG
(((6aR,9S,10aR)-2-tert-Butyl-7-methyl-4,6,6a,7,8,9,...)
Show SMILES CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@H]2[C@H]1Cc1c[nH]c3cc(cc2c13)C(C)(C)C
Show InChI InChI=1S/C28H35N3O2/c1-28(2,3)21-12-23-22-10-19(14-30-27(32)33-17-18-8-6-5-7-9-18)16-31(4)25(22)11-20-15-29-24(13-21)26(20)23/h5-9,12-13,15,19,22,25,29H,10-11,14,16-17H2,1-4H3,(H,30,32)/t19-,22+,25+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pharmacia & Upjohn S.p.A.-CNS Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH-23,390 from D1 receptor in rat striatum


Bioorg Med Chem Lett 8: 1117-22 (1999)


Article DOI: 10.1016/s0960-894x(98)00166-8
BindingDB Entry DOI: 10.7270/Q2M61JF3
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50070190
PNG
(((6aR,9S,10aR)-3-tert-Butyl-7-methyl-4,6,6a,7,8,9,...)
Show SMILES CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@H]2[C@H]1Cc1c[nH]c3c(ccc2c13)C(C)(C)C
Show InChI InChI=1S/C28H35N3O2/c1-28(2,3)23-11-10-21-22-12-19(14-30-27(32)33-17-18-8-6-5-7-9-18)16-31(4)24(22)13-20-15-29-26(23)25(20)21/h5-11,15,19,22,24,29H,12-14,16-17H2,1-4H3,(H,30,32)/t19-,22+,24+/m0/s1
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n/an/a 27n/an/an/an/an/an/a



Pharmacia & Upjohn S.p.A.-CNS Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampus


Bioorg Med Chem Lett 8: 1117-22 (1999)


Article DOI: 10.1016/s0960-894x(98)00166-8
BindingDB Entry DOI: 10.7270/Q2M61JF3
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50070190
PNG
(((6aR,9S,10aR)-3-tert-Butyl-7-methyl-4,6,6a,7,8,9,...)
Show SMILES CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@H]2[C@H]1Cc1c[nH]c3c(ccc2c13)C(C)(C)C
Show InChI InChI=1S/C28H35N3O2/c1-28(2,3)23-11-10-21-22-12-19(14-30-27(32)33-17-18-8-6-5-7-9-18)16-31(4)24(22)13-20-15-29-26(23)25(20)21/h5-11,15,19,22,24,29H,12-14,16-17H2,1-4H3,(H,30,32)/t19-,22+,24+/m0/s1
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n/an/a 830n/an/an/an/an/an/a



Pharmacia & Upjohn S.p.A.-CNS Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiroperidol from D2 receptor in rat striatum


Bioorg Med Chem Lett 8: 1117-22 (1999)


Article DOI: 10.1016/s0960-894x(98)00166-8
BindingDB Entry DOI: 10.7270/Q2M61JF3
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50070184
PNG
(((6aR,9S,10aR)-7-Methyl-4,6,6a,7,8,9,10,10a-octahy...)
Show SMILES CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13
Show InChI InChI=1S/C24H27N3O2/c1-27-14-17(12-26-24(28)29-15-16-6-3-2-4-7-16)10-20-19-8-5-9-21-23(19)18(13-25-21)11-22(20)27/h2-9,13,17,20,22,25H,10-12,14-15H2,1H3,(H,26,28)/t17-,20+,22+/m0/s1
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n/an/a 150n/an/an/an/an/an/a



Pharmacia & Upjohn S.p.A.-CNS Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiroperidol from D2 receptor in rat striatum


Bioorg Med Chem Lett 8: 1117-22 (1999)


Article DOI: 10.1016/s0960-894x(98)00166-8
BindingDB Entry DOI: 10.7270/Q2M61JF3
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50070201
PNG
(((6aR,9S,10aR)-2-tert-Butyl-7-methyl-4,6,6a,7,8,9,...)
Show SMILES CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@H]2[C@H]1Cc1c[nH]c3cc(cc2c13)C(C)(C)C
Show InChI InChI=1S/C28H35N3O2/c1-28(2,3)21-12-23-22-10-19(14-30-27(32)33-17-18-8-6-5-7-9-18)16-31(4)25(22)11-20-15-29-24(13-21)26(20)23/h5-9,12-13,15,19,22,25,29H,10-11,14,16-17H2,1-4H3,(H,30,32)/t19-,22+,25+/m0/s1
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n/an/a 520n/an/an/an/an/an/a



Pharmacia & Upjohn S.p.A.-CNS Research

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5-hydroxytryptamine 2 receptor in rat pre frontal cortex


Bioorg Med Chem Lett 8: 1117-22 (1999)


Article DOI: 10.1016/s0960-894x(98)00166-8
BindingDB Entry DOI: 10.7270/Q2M61JF3
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50070184
PNG
(((6aR,9S,10aR)-7-Methyl-4,6,6a,7,8,9,10,10a-octahy...)
Show SMILES CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13
Show InChI InChI=1S/C24H27N3O2/c1-27-14-17(12-26-24(28)29-15-16-6-3-2-4-7-16)10-20-19-8-5-9-21-23(19)18(13-25-21)11-22(20)27/h2-9,13,17,20,22,25H,10-12,14-15H2,1H3,(H,26,28)/t17-,20+,22+/m0/s1
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n/an/a 390n/an/an/an/an/an/a



Pharmacia & Upjohn S.p.A.-CNS Research

Curated by ChEMBL


Assay Description
Displacement of [3H]yohimbine from Alpha-2 adrenergic receptor in rat frontal cortex


Bioorg Med Chem Lett 8: 1117-22 (1999)


Article DOI: 10.1016/s0960-894x(98)00166-8
BindingDB Entry DOI: 10.7270/Q2M61JF3
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50070190
PNG
(((6aR,9S,10aR)-3-tert-Butyl-7-methyl-4,6,6a,7,8,9,...)
Show SMILES CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@H]2[C@H]1Cc1c[nH]c3c(ccc2c13)C(C)(C)C
Show InChI InChI=1S/C28H35N3O2/c1-28(2,3)23-11-10-21-22-12-19(14-30-27(32)33-17-18-8-6-5-7-9-18)16-31(4)24(22)13-20-15-29-26(23)25(20)21/h5-11,15,19,22,24,29H,12-14,16-17H2,1-4H3,(H,30,32)/t19-,22+,24+/m0/s1
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n/an/a 54n/an/an/an/an/an/a



Pharmacia & Upjohn S.p.A.-CNS Research

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5-hydroxytryptamine 2 receptor in rat pre frontal cortex


Bioorg Med Chem Lett 8: 1117-22 (1999)


Article DOI: 10.1016/s0960-894x(98)00166-8
BindingDB Entry DOI: 10.7270/Q2M61JF3
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50070184
PNG
(((6aR,9S,10aR)-7-Methyl-4,6,6a,7,8,9,10,10a-octahy...)
Show SMILES CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13
Show InChI InChI=1S/C24H27N3O2/c1-27-14-17(12-26-24(28)29-15-16-6-3-2-4-7-16)10-20-19-8-5-9-21-23(19)18(13-25-21)11-22(20)27/h2-9,13,17,20,22,25H,10-12,14-15H2,1H3,(H,26,28)/t17-,20+,22+/m0/s1
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n/an/a 250n/an/an/an/an/an/a



Pharmacia & Upjohn S.p.A.-CNS Research

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5-hydroxytryptamine 2 receptor in rat pre frontal cortex


Bioorg Med Chem Lett 8: 1117-22 (1999)


Article DOI: 10.1016/s0960-894x(98)00166-8
BindingDB Entry DOI: 10.7270/Q2M61JF3
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50070190
PNG
(((6aR,9S,10aR)-3-tert-Butyl-7-methyl-4,6,6a,7,8,9,...)
Show SMILES CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@H]2[C@H]1Cc1c[nH]c3c(ccc2c13)C(C)(C)C
Show InChI InChI=1S/C28H35N3O2/c1-28(2,3)23-11-10-21-22-12-19(14-30-27(32)33-17-18-8-6-5-7-9-18)16-31(4)24(22)13-20-15-29-26(23)25(20)21/h5-11,15,19,22,24,29H,12-14,16-17H2,1-4H3,(H,30,32)/t19-,22+,24+/m0/s1
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n/an/a 670n/an/an/an/an/an/a



Pharmacia & Upjohn S.p.A.-CNS Research

Curated by ChEMBL


Assay Description
Displacement of [3H]yohimbine from Alpha-2 adrenergic receptor in rat frontal cortex


Bioorg Med Chem Lett 8: 1117-22 (1999)


Article DOI: 10.1016/s0960-894x(98)00166-8
BindingDB Entry DOI: 10.7270/Q2M61JF3
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50070190
PNG
(((6aR,9S,10aR)-3-tert-Butyl-7-methyl-4,6,6a,7,8,9,...)
Show SMILES CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@H]2[C@H]1Cc1c[nH]c3c(ccc2c13)C(C)(C)C
Show InChI InChI=1S/C28H35N3O2/c1-28(2,3)23-11-10-21-22-12-19(14-30-27(32)33-17-18-8-6-5-7-9-18)16-31(4)24(22)13-20-15-29-26(23)25(20)21/h5-11,15,19,22,24,29H,12-14,16-17H2,1-4H3,(H,30,32)/t19-,22+,24+/m0/s1
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n/an/a 8.62E+3n/an/an/an/an/an/a



Pharmacia & Upjohn S.p.A.-CNS Research

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from Alpha-1 adrenergic receptor in rat frontal cortex


Bioorg Med Chem Lett 8: 1117-22 (1999)


Article DOI: 10.1016/s0960-894x(98)00166-8
BindingDB Entry DOI: 10.7270/Q2M61JF3
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50070184
PNG
(((6aR,9S,10aR)-7-Methyl-4,6,6a,7,8,9,10,10a-octahy...)
Show SMILES CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13
Show InChI InChI=1S/C24H27N3O2/c1-27-14-17(12-26-24(28)29-15-16-6-3-2-4-7-16)10-20-19-8-5-9-21-23(19)18(13-25-21)11-22(20)27/h2-9,13,17,20,22,25H,10-12,14-15H2,1H3,(H,26,28)/t17-,20+,22+/m0/s1
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n/an/a 3.33E+3n/an/an/an/an/an/a



Pharmacia & Upjohn S.p.A.-CNS Research

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from Alpha-1 adrenergic receptor in rat frontal cortex


Bioorg Med Chem Lett 8: 1117-22 (1999)


Article DOI: 10.1016/s0960-894x(98)00166-8
BindingDB Entry DOI: 10.7270/Q2M61JF3
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50070201
PNG
(((6aR,9S,10aR)-2-tert-Butyl-7-methyl-4,6,6a,7,8,9,...)
Show SMILES CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@H]2[C@H]1Cc1c[nH]c3cc(cc2c13)C(C)(C)C
Show InChI InChI=1S/C28H35N3O2/c1-28(2,3)21-12-23-22-10-19(14-30-27(32)33-17-18-8-6-5-7-9-18)16-31(4)25(22)11-20-15-29-24(13-21)26(20)23/h5-9,12-13,15,19,22,25,29H,10-11,14,16-17H2,1-4H3,(H,30,32)/t19-,22+,25+/m0/s1
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n/an/a 2.17E+3n/an/an/an/an/an/a



Pharmacia & Upjohn S.p.A.-CNS Research

Curated by ChEMBL


Assay Description
Displacement of [3H]yohimbine from Alpha-2 adrenergic receptor in rat frontal cortex


Bioorg Med Chem Lett 8: 1117-22 (1999)


Article DOI: 10.1016/s0960-894x(98)00166-8
BindingDB Entry DOI: 10.7270/Q2M61JF3
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50070190
PNG
(((6aR,9S,10aR)-3-tert-Butyl-7-methyl-4,6,6a,7,8,9,...)
Show SMILES CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@H]2[C@H]1Cc1c[nH]c3c(ccc2c13)C(C)(C)C
Show InChI InChI=1S/C28H35N3O2/c1-28(2,3)23-11-10-21-22-12-19(14-30-27(32)33-17-18-8-6-5-7-9-18)16-31(4)24(22)13-20-15-29-26(23)25(20)21/h5-11,15,19,22,24,29H,12-14,16-17H2,1-4H3,(H,30,32)/t19-,22+,24+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pharmacia & Upjohn S.p.A.-CNS Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH-23,390 from D1 receptor in rat striatum


Bioorg Med Chem Lett 8: 1117-22 (1999)


Article DOI: 10.1016/s0960-894x(98)00166-8
BindingDB Entry DOI: 10.7270/Q2M61JF3
More data for this
Ligand-Target Pair