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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM50031369'   
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))
BDBM50031369
PNG
(CHEMBL3358505)
Show SMILES O=C(NCCCCN1CCN(CC1)c1ccccc1)[C@H]1CCc2ccccc2N1 |r|
Show InChI InChI=1S/C24H32N4O/c29-24(23-13-12-20-8-4-5-11-22(20)26-23)25-14-6-7-15-27-16-18-28(19-17-27)21-9-2-1-3-10-21/h1-5,8-11,23,26H,6-7,12-19H2,(H,25,29)/t23-/m1/s1
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MMDB

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Similars

Article
PubMed
50n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2A receptor (unknown origin)


J Med Chem 57: 9578-97 (2014)


Article DOI: 10.1021/jm501119j
BindingDB Entry DOI: 10.7270/Q2571DM0
More data for this
Ligand-Target Pair