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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 = 'BDBM50302141'   
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))
BDBM50302141
PNG
(2-(2-(2-chlorophenoxy)ethyl)-6-(piperazin-1-yl)pyr...)
Show SMILES Clc1ccccc1OCCn1nc(ccc1=O)N1CCNCC1
Show InChI InChI=1S/C16H19ClN4O2/c17-13-3-1-2-4-14(13)23-12-11-21-16(22)6-5-15(19-21)20-9-7-18-8-10-20/h1-6,18H,7-12H2
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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.60E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]meselurgine from human recombinant 5HT2C receptor expressed in Swiss mouse 3T3 cells by SPA


Bioorg Med Chem Lett 19: 5791-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.136
BindingDB Entry DOI: 10.7270/Q2X0674Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50302141
PNG
(2-(2-(2-chlorophenoxy)ethyl)-6-(piperazin-1-yl)pyr...)
Show SMILES Clc1ccccc1OCCn1nc(ccc1=O)N1CCNCC1
Show InChI InChI=1S/C16H19ClN4O2/c17-13-3-1-2-4-14(13)23-12-11-21-16(22)6-5-15(19-21)20-9-7-18-8-10-20/h1-6,18H,7-12H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 164n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2C receptor expressed in CHOK1 cells assessed as induction of calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 5791-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.136
BindingDB Entry DOI: 10.7270/Q2X0674Z
More data for this
Ligand-Target Pair