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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Serotonin (5-HT) receptor' and Ligand = 'BDBM50346374'   
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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50346374
PNG
(3-(2-(4-(naphthalen-1-yl)piperazin-1-yl)ethyl)benz...)
Show SMILES O=c1n(CCN2CCN(CC2)c2cccc3ccccc23)nnc2ccccc12
Show InChI InChI=1S/C23H23N5O/c29-23-20-9-3-4-10-21(20)24-25-28(23)17-14-26-12-15-27(16-13-26)22-11-5-7-18-6-1-2-8-19(18)22/h1-11H,12-17H2
KEGG

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.000178n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in Sprague-Dawley rat brain cortex homogenates after 30 mins by liquid scintillation counting


Eur J Med Chem 46: 2206-16 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.001
BindingDB Entry DOI: 10.7270/Q2M32W4J
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50346374
PNG
(3-(2-(4-(naphthalen-1-yl)piperazin-1-yl)ethyl)benz...)
Show SMILES O=c1n(CCN2CCN(CC2)c2cccc3ccccc23)nnc2ccccc12
Show InChI InChI=1S/C23H23N5O/c29-23-20-9-3-4-10-21(20)24-25-28(23)17-14-26-12-15-27(16-13-26)22-11-5-7-18-6-1-2-8-19(18)22/h1-11H,12-17H2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5.29n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from 5HT2A receptor in Sprague-Dawley rat frontal cortical homogenates after 15 mins


Eur J Med Chem 46: 2206-16 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.001
BindingDB Entry DOI: 10.7270/Q2M32W4J
More data for this
Ligand-Target Pair