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Compile Data Set for Download or QSAR

Found 26 hits Enz. Inhib. hit(s) with all data for entry = 50048715   
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
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50133231
PNG
((R)-1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine |...)
Show SMILES COc1cc(C[C@@H](C)N)c(OC)cc1I
Show InChI InChI=1S/C11H16INO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3/t7-/m1/s1
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9.90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


J Med Chem 29: 194-9 (1986)


BindingDB Entry DOI: 10.7270/Q2KP84CD
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM28582
PNG
(1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine | CHE...)
Show SMILES COc1cc(CC(C)N)c(OC)cc1I
Show InChI InChI=1S/C11H16INO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3
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35n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


J Med Chem 29: 194-9 (1986)


BindingDB Entry DOI: 10.7270/Q2KP84CD
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50005257
PNG
((+)-2-(4-Bromo-2,5-dimethoxy-phenyl)-1-methyl-ethy...)
Show SMILES COc1cc(CC(C)N)c(OC)cc1Br
Show InChI InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3
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63n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


J Med Chem 29: 194-9 (1986)


BindingDB Entry DOI: 10.7270/Q2KP84CD
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50226139
PNG
(CHEMBL61002)
Show SMILES COc1cc(CC(C)N)c(O)cc1Br
Show InChI InChI=1S/C10H14BrNO2/c1-6(12)3-7-4-10(14-2)8(11)5-9(7)13/h4-6,13H,3,12H2,1-2H3
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210n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


J Med Chem 29: 194-9 (1986)


BindingDB Entry DOI: 10.7270/Q2KP84CD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM28582
PNG
(1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine | CHE...)
Show SMILES COc1cc(CC(C)N)c(OC)cc1I
Show InChI InChI=1S/C11H16INO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3
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920n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1 receptor of rat prefrontal cortex


J Med Chem 29: 194-9 (1986)


BindingDB Entry DOI: 10.7270/Q2KP84CD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50005251
PNG
((+/-)2-(2,5-Dimethoxy-phenyl)-1-methyl-ethylamine ...)
Show SMILES COc1ccc(OC)c(CC(C)N)c1
Show InChI InChI=1S/C11H17NO2/c1-8(12)6-9-7-10(13-2)4-5-11(9)14-3/h4-5,7-8H,6,12H2,1-3H3
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1.02E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1 receptor of rat prefrontal cortex


J Med Chem 29: 194-9 (1986)


BindingDB Entry DOI: 10.7270/Q2KP84CD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50005258
PNG
(CHEMBL18762 | D-367 | [2-(4-Bromo-2,5-dimethoxy-ph...)
Show SMILES CCCNC(C)Cc1cc(OC)c(Br)cc1OC
Show InChI InChI=1S/C14H22BrNO2/c1-5-6-16-10(2)7-11-8-14(18-4)12(15)9-13(11)17-3/h8-10,16H,5-7H2,1-4H3
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1.32E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1 receptor of rat prefrontal cortex


J Med Chem 29: 194-9 (1986)


BindingDB Entry DOI: 10.7270/Q2KP84CD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50226139
PNG
(CHEMBL61002)
Show SMILES COc1cc(CC(C)N)c(O)cc1Br
Show InChI InChI=1S/C10H14BrNO2/c1-6(12)3-7-4-10(14-2)8(11)5-9(7)13/h4-6,13H,3,12H2,1-2H3
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1.71E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1 receptor of rat prefrontal cortex


J Med Chem 29: 194-9 (1986)


BindingDB Entry DOI: 10.7270/Q2KP84CD
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50005258
PNG
(CHEMBL18762 | D-367 | [2-(4-Bromo-2,5-dimethoxy-ph...)
Show SMILES CCCNC(C)Cc1cc(OC)c(Br)cc1OC
Show InChI InChI=1S/C14H22BrNO2/c1-5-6-16-10(2)7-11-8-14(18-4)12(15)9-13(11)17-3/h8-10,16H,5-7H2,1-4H3
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1.93E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


J Med Chem 29: 194-9 (1986)


BindingDB Entry DOI: 10.7270/Q2KP84CD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50133231
PNG
((R)-1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine |...)
Show SMILES COc1cc(C[C@@H](C)N)c(OC)cc1I
Show InChI InChI=1S/C11H16INO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3/t7-/m1/s1
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2.29E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1 receptor of rat prefrontal cortex


J Med Chem 29: 194-9 (1986)


BindingDB Entry DOI: 10.7270/Q2KP84CD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50024211
PNG
((+/-)2-(3-Methoxy-phenyl)-1-methyl-ethylamine | 2-...)
Show SMILES COc1cccc(CC(C)N)c1
Show InChI InChI=1S/C10H15NO/c1-8(11)6-9-4-3-5-10(7-9)12-2/h3-5,7-8H,6,11H2,1-2H3
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2.66E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1 receptor of rat prefrontal cortex


J Med Chem 29: 194-9 (1986)


BindingDB Entry DOI: 10.7270/Q2KP84CD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50005252
PNG
(2-(4-Bromo-phenyl)-1-methyl-ethylamine | CHEMBL613...)
Show SMILES CC(N)Cc1ccc(Br)cc1
Show InChI InChI=1S/C9H12BrN/c1-7(11)6-8-2-4-9(10)5-3-8/h2-5,7H,6,11H2,1H3
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2.83E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1 receptor of rat prefrontal cortex


J Med Chem 29: 194-9 (1986)


BindingDB Entry DOI: 10.7270/Q2KP84CD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50005262
PNG
(2-(4-Bromo-2-methoxy-phenyl)-1-methyl-ethylamine |...)
Show SMILES COc1cc(Br)ccc1CC(C)N
Show InChI InChI=1S/C10H14BrNO/c1-7(12)5-8-3-4-9(11)6-10(8)13-2/h3-4,6-7H,5,12H2,1-2H3
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2.90E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1 receptor of rat prefrontal cortex


J Med Chem 29: 194-9 (1986)


BindingDB Entry DOI: 10.7270/Q2KP84CD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50005257
PNG
((+)-2-(4-Bromo-2,5-dimethoxy-phenyl)-1-methyl-ethy...)
Show SMILES COc1cc(CC(C)N)c(OC)cc1Br
Show InChI InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3
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3.34E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1 receptor of rat prefrontal cortex


J Med Chem 29: 194-9 (1986)


BindingDB Entry DOI: 10.7270/Q2KP84CD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50024208
PNG
((+/-)2-(2-Methoxy-phenyl)-1-methyl-ethylamine | 2-...)
Show SMILES COc1ccccc1CC(C)N
Show InChI InChI=1S/C10H15NO/c1-8(11)7-9-5-3-4-6-10(9)12-2/h3-6,8H,7,11H2,1-2H3
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3.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1 receptor of rat prefrontal cortex


J Med Chem 29: 194-9 (1986)


BindingDB Entry DOI: 10.7270/Q2KP84CD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50226140
PNG
(CHEMBL304023)
Show SMILES CCCNC(C)Cc1cc(OC)ccc1OC
Show InChI InChI=1S/C14H23NO2/c1-5-8-15-11(2)9-12-10-13(16-3)6-7-14(12)17-4/h6-7,10-11,15H,5,8-9H2,1-4H3
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4.10E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1 receptor of rat prefrontal cortex


J Med Chem 29: 194-9 (1986)


BindingDB Entry DOI: 10.7270/Q2KP84CD
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50005252
PNG
(2-(4-Bromo-phenyl)-1-methyl-ethylamine | CHEMBL613...)
Show SMILES CC(N)Cc1ccc(Br)cc1
Show InChI InChI=1S/C9H12BrN/c1-7(11)6-8-2-4-9(10)5-3-8/h2-5,7H,6,11H2,1H3
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4.65E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


J Med Chem 29: 194-9 (1986)


BindingDB Entry DOI: 10.7270/Q2KP84CD
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50005262
PNG
(2-(4-Bromo-2-methoxy-phenyl)-1-methyl-ethylamine |...)
Show SMILES COc1cc(Br)ccc1CC(C)N
Show InChI InChI=1S/C10H14BrNO/c1-7(12)5-8-3-4-9(11)6-10(8)13-2/h3-4,6-7H,5,12H2,1-2H3
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4.87E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


J Med Chem 29: 194-9 (1986)


BindingDB Entry DOI: 10.7270/Q2KP84CD
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50005251
PNG
((+/-)2-(2,5-Dimethoxy-phenyl)-1-methyl-ethylamine ...)
Show SMILES COc1ccc(OC)c(CC(C)N)c1
Show InChI InChI=1S/C11H17NO2/c1-8(12)6-9-7-10(13-2)4-5-11(9)14-3/h4-5,7-8H,6,12H2,1-3H3
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5.20E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


J Med Chem 29: 194-9 (1986)


BindingDB Entry DOI: 10.7270/Q2KP84CD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50005246
PNG
(1-Phenylpropan-2-amin | 1-phenyl-2-aminopropane | ...)
Show SMILES CC(N)Cc1ccccc1
Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3
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7.66E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1 receptor of rat prefrontal cortex


J Med Chem 29: 194-9 (1986)


BindingDB Entry DOI: 10.7270/Q2KP84CD
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50024211
PNG
((+/-)2-(3-Methoxy-phenyl)-1-methyl-ethylamine | 2-...)
Show SMILES COc1cccc(CC(C)N)c1
Show InChI InChI=1S/C10H15NO/c1-8(11)6-9-4-3-5-10(7-9)12-2/h3-5,7-8H,6,11H2,1-2H3
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7.85E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


J Med Chem 29: 194-9 (1986)


BindingDB Entry DOI: 10.7270/Q2KP84CD
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50024208
PNG
((+/-)2-(2-Methoxy-phenyl)-1-methyl-ethylamine | 2-...)
Show SMILES COc1ccccc1CC(C)N
Show InChI InChI=1S/C10H15NO/c1-8(11)7-9-5-3-4-6-10(9)12-2/h3-6,8H,7,11H2,1-2H3
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8.13E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


J Med Chem 29: 194-9 (1986)


BindingDB Entry DOI: 10.7270/Q2KP84CD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50226138
PNG
(CHEMBL60248)
Show SMILES COc1cc(CC(C)N)ccc1Br
Show InChI InChI=1S/C10H14BrNO/c1-7(12)5-8-3-4-9(11)10(6-8)13-2/h3-4,6-7H,5,12H2,1-2H3
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>2.50E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1 receptor of rat prefrontal cortex


J Med Chem 29: 194-9 (1986)


BindingDB Entry DOI: 10.7270/Q2KP84CD
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50226138
PNG
(CHEMBL60248)
Show SMILES COc1cc(CC(C)N)ccc1Br
Show InChI InChI=1S/C10H14BrNO/c1-7(12)5-8-3-4-9(11)10(6-8)13-2/h3-4,6-7H,5,12H2,1-2H3
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>2.50E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


J Med Chem 29: 194-9 (1986)


BindingDB Entry DOI: 10.7270/Q2KP84CD
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50226140
PNG
(CHEMBL304023)
Show SMILES CCCNC(C)Cc1cc(OC)ccc1OC
Show InChI InChI=1S/C14H23NO2/c1-5-8-15-11(2)9-12-10-13(16-3)6-7-14(12)17-4/h6-7,10-11,15H,5,8-9H2,1-4H3
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UniChem
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2.56E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


J Med Chem 29: 194-9 (1986)


BindingDB Entry DOI: 10.7270/Q2KP84CD
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50005246
PNG
(1-Phenylpropan-2-amin | 1-phenyl-2-aminopropane | ...)
Show SMILES CC(N)Cc1ccccc1
Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3
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PubMed
4.30E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


J Med Chem 29: 194-9 (1986)


BindingDB Entry DOI: 10.7270/Q2KP84CD
More data for this
Ligand-Target Pair