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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2C' and Ligand = 'BDBM50451045'   
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 2C


(Rattus norvegicus (Rat))
BDBM50451045
PNG
(CHEMBL4206107)
Show SMILES Cl.Clc1ccc(cc1)C(N1CCN(CCCNC(=O)c2ccccn2)CC1)c1ccccc1
Show InChI InChI=1S/C26H29ClN4O.ClH/c27-23-12-10-22(11-13-23)25(21-7-2-1-3-8-21)31-19-17-30(18-20-31)16-6-15-29-26(32)24-9-4-5-14-28-24;/h1-5,7-14,25H,6,15-20H2,(H,29,32);1H
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli "Federico II" Via D. Montesano

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from serotonin 5-HT2C receptor in Sprague-Dawley rat brain cortex homogenates incubated for 15 mins by liquid scintil...


Bioorg Med Chem 25: 5820-5837 (2017)


Article DOI: 10.1016/j.bmc.2017.09.018
BindingDB Entry DOI: 10.7270/Q2VD721F
More data for this
Ligand-Target Pair