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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2C' and Ligand = 'BDBM50013102'   
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))
BDBM50013102
PNG
(CHEMBL3261690)
Show SMILES CCn1ccc2cc(NC(=O)Nc3ccc(OC(CCN(C)C)c4ccccc4)cc3)ccc12
Show InChI InChI=1S/C28H32N4O2/c1-4-32-19-16-22-20-24(12-15-26(22)32)30-28(33)29-23-10-13-25(14-11-23)34-27(17-18-31(2)3)21-8-6-5-7-9-21/h5-16,19-20,27H,4,17-18H2,1-3H3,(H2,29,30,33)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
11n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from 5HT2C in Sprague-Dawley rat whole brain membranes after 1 hr by liquid scintillation spectrometry


Bioorg Med Chem Lett 26: 914-20 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.071
BindingDB Entry DOI: 10.7270/Q2VX0JC7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50013102
PNG
(CHEMBL3261690)
Show SMILES CCn1ccc2cc(NC(=O)Nc3ccc(OC(CCN(C)C)c4ccccc4)cc3)ccc12
Show InChI InChI=1S/C28H32N4O2/c1-4-32-19-16-22-20-24(12-15-26(22)32)30-28(33)29-23-10-13-25(14-11-23)34-27(17-18-31(2)3)21-8-6-5-7-9-21/h5-16,19-20,27H,4,17-18H2,1-3H3,(H2,29,30,33)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
11n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from 5-HT2C receptor in Sprague-Dawley rat choroid plexus membranes after 30 mins by liquid scintillation spectrophot...


Bioorg Med Chem Lett 24: 2118-22 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.043
BindingDB Entry DOI: 10.7270/Q2G44RV5
More data for this
Ligand-Target Pair