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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 = 'BDBM50205867'   
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


(Homo sapiens (Human))
BDBM50205867
PNG
((+/-)-7-methylthio-1,3,4,10b-tetrahydropyrazino[2,...)
Show SMILES CSc1cccc2C3CNCCN3C(=O)c12
Show InChI InChI=1S/C12H14N2OS/c1-16-10-4-2-3-8-9-7-13-5-6-14(9)12(15)11(8)10/h2-4,9,13H,5-7H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
40n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from human recombinant 5HT2C expressed in HEK293E cells


J Med Chem 50: 1365-79 (2007)


Article DOI: 10.1021/jm0612968
BindingDB Entry DOI: 10.7270/Q2XP74M8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50205867
PNG
((+/-)-7-methylthio-1,3,4,10b-tetrahydropyrazino[2,...)
Show SMILES CSc1cccc2C3CNCCN3C(=O)c12
Show InChI InChI=1S/C12H14N2OS/c1-16-10-4-2-3-8-9-7-13-5-6-14(9)12(15)11(8)10/h2-4,9,13H,5-7H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 42n/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Activity at human 5HT2C expressed in HEK293E cells assessed as elevation of intracellular calcium by 384-FLIPR assay


J Med Chem 50: 1365-79 (2007)


Article DOI: 10.1021/jm0612968
BindingDB Entry DOI: 10.7270/Q2XP74M8
More data for this
Ligand-Target Pair