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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 = 'BDBM50359962'   
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


(Rattus norvegicus (rat))
BDBM50359962
PNG
(CHEMBL1927096)
Show SMILES N#CNC(=NCCCN1CCN(CC1)c1ncccn1)c1ccccn1 |w:4.4|
Show InChI InChI=1S/C18H22N8/c19-15-24-17(16-5-1-2-6-20-16)21-9-4-10-25-11-13-26(14-12-25)18-22-7-3-8-23-18/h1-3,5-8H,4,9-14H2,(H,21,24)
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.0161n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from Sprague-Dawley rat brain cortex serotonin 5-HT2A receptor after 15 mins by liquid scintillation counting


Eur J Med Chem 47: 520-9 (2012)


Article DOI: 10.1016/j.ejmech.2011.11.023
BindingDB Entry DOI: 10.7270/Q29S1RFN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50359962
PNG
(CHEMBL1927096)
Show SMILES N#CNC(=NCCCN1CCN(CC1)c1ncccn1)c1ccccn1 |w:4.4|
Show InChI InChI=1S/C18H22N8/c19-15-24-17(16-5-1-2-6-20-16)21-9-4-10-25-11-13-26(14-12-25)18-22-7-3-8-23-18/h1-3,5-8H,4,9-14H2,(H,21,24)
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UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0217n/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from Sprague-Dawley rat brain cortex serotonin 5-HT2A receptor after 15 mins by liquid scintillation counting


Eur J Med Chem 47: 520-9 (2012)


Article DOI: 10.1016/j.ejmech.2011.11.023
BindingDB Entry DOI: 10.7270/Q29S1RFN
More data for this
Ligand-Target Pair