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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM50108306'   
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))
BDBM50108306
PNG
((S)-1-(5,6-difluoro-1H-indol-1-yl)propan-2-amine |...)
Show SMILES C[C@H](N)Cn1ccc2cc(F)c(F)cc12
Show InChI InChI=1S/C11H12F2N2/c1-7(14)6-15-3-2-8-4-9(12)10(13)5-11(8)15/h2-5,7H,6,14H2,1H3/t7-/m0/s1
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12n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Tested for binding affinity of the compound towards rat 5-hydroxytryptamine 2A receptor using [3H]-Ketanserin as radioligand


Bioorg Med Chem Lett 12: 155-8 (2001)


BindingDB Entry DOI: 10.7270/Q21G0KKD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50108306
PNG
((S)-1-(5,6-difluoro-1H-indol-1-yl)propan-2-amine |...)
Show SMILES C[C@H](N)Cn1ccc2cc(F)c(F)cc12
Show InChI InChI=1S/C11H12F2N2/c1-7(14)6-15-3-2-8-4-9(12)10(13)5-11(8)15/h2-5,7H,6,14H2,1H3/t7-/m0/s1
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15n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Tested for binding affinity of the compound towards rat 5-hydroxytryptamine 2A receptor using [3H]-DOB as radioligand


Bioorg Med Chem Lett 12: 155-8 (2001)


BindingDB Entry DOI: 10.7270/Q21G0KKD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50108306
PNG
((S)-1-(5,6-difluoro-1H-indol-1-yl)propan-2-amine |...)
Show SMILES C[C@H](N)Cn1ccc2cc(F)c(F)cc12
Show InChI InChI=1S/C11H12F2N2/c1-7(14)6-15-3-2-8-4-9(12)10(13)5-11(8)15/h2-5,7H,6,14H2,1H3/t7-/m0/s1
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39n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Tested for binding affinity of the compound towards human 5-hydroxytryptamine 2A receptor using [3H]-DOB as radioligand


Bioorg Med Chem Lett 12: 155-8 (2001)


BindingDB Entry DOI: 10.7270/Q21G0KKD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50108306
PNG
((S)-1-(5,6-difluoro-1H-indol-1-yl)propan-2-amine |...)
Show SMILES C[C@H](N)Cn1ccc2cc(F)c(F)cc12
Show InChI InChI=1S/C11H12F2N2/c1-7(14)6-15-3-2-8-4-9(12)10(13)5-11(8)15/h2-5,7H,6,14H2,1H3/t7-/m0/s1
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Article
PubMed
100n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 2A receptor using displacement of [3H]5-HT


J Med Chem 40: 2762-9 (1997)


Article DOI: 10.1021/jm970030l
BindingDB Entry DOI: 10.7270/Q270845Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50108306
PNG
((S)-1-(5,6-difluoro-1H-indol-1-yl)propan-2-amine |...)
Show SMILES C[C@H](N)Cn1ccc2cc(F)c(F)cc12
Show InChI InChI=1S/C11H12F2N2/c1-7(14)6-15-3-2-8-4-9(12)10(13)5-11(8)15/h2-5,7H,6,14H2,1H3/t7-/m0/s1
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Article
PubMed
100n/an/an/an/an/an/an/an/a



University of North Texas Health Science Center

Curated by ChEMBL


Assay Description
Displacement of [3H]methylspiperone from human cloned 5HT2A receptor expressed in HEK293 cells after 90 mins by liquid scintillation counting


Bioorg Med Chem 18: 4783-92 (2011)


Article DOI: 10.1016/j.bmc.2010.05.017
BindingDB Entry DOI: 10.7270/Q2V69KJ2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50108306
PNG
((S)-1-(5,6-difluoro-1H-indol-1-yl)propan-2-amine |...)
Show SMILES C[C@H](N)Cn1ccc2cc(F)c(F)cc12
Show InChI InChI=1S/C11H12F2N2/c1-7(14)6-15-3-2-8-4-9(12)10(13)5-11(8)15/h2-5,7H,6,14H2,1H3/t7-/m0/s1
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320n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DOB from human 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 12: 155-8 (2001)


BindingDB Entry DOI: 10.7270/Q21G0KKD
More data for this
Ligand-Target Pair