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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM50064706'   
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
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50064706
PNG
((2aS,4R)-8-Bromo-6-methoxy-2a,3,4,5-tetrahydro-2H-...)
Show SMILES COc1cc(Br)c2OC[C@H]3C[C@@H](N)Cc1c23
Show InChI InChI=1S/C12H14BrNO2/c1-15-10-4-9(13)12-11-6(5-16-12)2-7(14)3-8(10)11/h4,6-7H,2-3,5,14H2,1H3/t6-,7-/m1/s1
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13n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding ability of compound at cloned human 5-hydroxytryptamine 2A receptor using [125 I]DOI as radioligand


J Med Chem 41: 2134-45 (1998)


Article DOI: 10.1021/jm980076u
BindingDB Entry DOI: 10.7270/Q2XD10T8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50064706
PNG
((2aS,4R)-8-Bromo-6-methoxy-2a,3,4,5-tetrahydro-2H-...)
Show SMILES COc1cc(Br)c2OC[C@H]3C[C@@H](N)Cc1c23
Show InChI InChI=1S/C12H14BrNO2/c1-15-10-4-9(13)12-11-6(5-16-12)2-7(14)3-8(10)11/h4,6-7H,2-3,5,14H2,1H3/t6-,7-/m1/s1
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16n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
In vitro binding to 5-hydroxytryptamine 2A receptor using [125 I]-DOI


J Med Chem 46: 3526-35 (2003)


Article DOI: 10.1021/jm030064v
BindingDB Entry DOI: 10.7270/Q20P0ZC1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50064706
PNG
((2aS,4R)-8-Bromo-6-methoxy-2a,3,4,5-tetrahydro-2H-...)
Show SMILES COc1cc(Br)c2OC[C@H]3C[C@@H](N)Cc1c23
Show InChI InChI=1S/C12H14BrNO2/c1-15-10-4-9(13)12-11-6(5-16-12)2-7(14)3-8(10)11/h4,6-7H,2-3,5,14H2,1H3/t6-,7-/m1/s1
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240n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding ability of compound at cloned human 5-hydroxytryptamine 2A receptor using [3H]-ketanserin as radioligand


J Med Chem 41: 2134-45 (1998)


Article DOI: 10.1021/jm980076u
BindingDB Entry DOI: 10.7270/Q2XD10T8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50064706
PNG
((2aS,4R)-8-Bromo-6-methoxy-2a,3,4,5-tetrahydro-2H-...)
Show SMILES COc1cc(Br)c2OC[C@H]3C[C@@H](N)Cc1c23
Show InChI InChI=1S/C12H14BrNO2/c1-15-10-4-9(13)12-11-6(5-16-12)2-7(14)3-8(10)11/h4,6-7H,2-3,5,14H2,1H3/t6-,7-/m1/s1
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1.05E+3n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Affinity at [3H]-ketanserin-labeled 5-hydroxytryptamine 2A receptor in rat brain homogenate was determined


J Med Chem 41: 2134-45 (1998)


Article DOI: 10.1021/jm980076u
BindingDB Entry DOI: 10.7270/Q2XD10T8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50064706
PNG
((2aS,4R)-8-Bromo-6-methoxy-2a,3,4,5-tetrahydro-2H-...)
Show SMILES COc1cc(Br)c2OC[C@H]3C[C@@H](N)Cc1c23
Show InChI InChI=1S/C12H14BrNO2/c1-15-10-4-9(13)12-11-6(5-16-12)2-7(14)3-8(10)11/h4,6-7H,2-3,5,14H2,1H3/t6-,7-/m1/s1
PDB

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Article
PubMed
n/an/an/an/a 2.09E+3n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Tested for its ability to activate phospholipase C by quantification of IP3 at cloned rat 5-hydroxytryptamine 2A receptor


J Med Chem 46: 3526-35 (2003)


Article DOI: 10.1021/jm030064v
BindingDB Entry DOI: 10.7270/Q20P0ZC1
More data for this
Ligand-Target Pair