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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 = 'BDBM50097689'   
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))
BDBM50097689
PNG
(CHEMBL3589594)
Show SMILES COc1cccc(OC)c1CNCCc1cc(OC)c(Br)cc1OC
Show InChI InChI=1S/C19H24BrNO4/c1-22-16-6-5-7-17(23-2)14(16)12-21-9-8-13-10-19(25-4)15(20)11-18(13)24-3/h5-7,10-11,21H,8-9,12H2,1-4H3
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Article
PubMed
17n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2C receptor (unknown origin) by PDSP assay


Bioorg Med Chem 23: 3933-7 (2015)


Article DOI: 10.1016/j.bmc.2014.12.011
BindingDB Entry DOI: 10.7270/Q2VX0J8W
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50097689
PNG
(CHEMBL3589594)
Show SMILES COc1cccc(OC)c1CNCCc1cc(OC)c(Br)cc1OC
Show InChI InChI=1S/C19H24BrNO4/c1-22-16-6-5-7-17(23-2)14(16)12-21-9-8-13-10-19(25-4)15(20)11-18(13)24-3/h5-7,10-11,21H,8-9,12H2,1-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 8.71E+4n/an/an/a25



University of Copenhagen

Curated by ChEMBL


Assay Description
Partial agonist activity at human 5-HT2C receptor expressed in HEK293 cells preincubated for 1 hr at 37 degC followed by incubated for 15 mins at roo...


Bioorg Med Chem 23: 3933-7 (2015)


Article DOI: 10.1016/j.bmc.2014.12.011
BindingDB Entry DOI: 10.7270/Q2VX0J8W
More data for this
Ligand-Target Pair