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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM50321879'   
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))
BDBM50321879
PNG
((R,S)-1-(5-bromo-1H-indol-1-yl)propan-2-amine | 2-...)
Show SMILES CC(N)Cn1ccc2cc(Br)ccc12
Show InChI InChI=1S/C11H13BrN2/c1-8(13)7-14-5-4-9-6-10(12)2-3-11(9)14/h2-6,8H,7,13H2,1H3
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Article
PubMed
158n/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))
BDBM50321879
PNG
((R,S)-1-(5-bromo-1H-indol-1-yl)propan-2-amine | 2-...)
Show SMILES CC(N)Cn1ccc2cc(Br)ccc12
Show InChI InChI=1S/C11H13BrN2/c1-8(13)7-14-5-4-9-6-10(12)2-3-11(9)14/h2-6,8H,7,13H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
159n/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