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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 = 'BDBM50428534'   
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))
BDBM50428534
PNG
(CHEMBL2337498)
Show SMILES CCCc1cc(Cl)c2C(=O)N[C@H]3CNC[C@@H]3c2c1 |r|
Show InChI InChI=1S/C14H17ClN2O/c1-2-3-8-4-9-10-6-16-7-12(10)17-14(18)13(9)11(15)5-8/h4-5,10,12,16H,2-3,6-7H2,1H3,(H,17,18)/t10-,12+/m1/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
556n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from human recombinant 5-HT2C receptor expressed in HEK293E cells after 45 mins by scintillation counting analysis


Bioorg Med Chem Lett 23: 330-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.091
BindingDB Entry DOI: 10.7270/Q2V12656
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50428534
PNG
(CHEMBL2337498)
Show SMILES CCCc1cc(Cl)c2C(=O)N[C@H]3CNC[C@@H]3c2c1 |r|
Show InChI InChI=1S/C14H17ClN2O/c1-2-3-8-4-9-10-6-16-7-12(10)17-14(18)13(9)11(15)5-8/h4-5,10,12,16H,2-3,6-7H2,1H3,(H,17,18)/t10-,12+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 218n/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at 5-HT2C receptor in HEK293E cells assessed as elevation of intracellular calcium level measured for 90 secs by FLIPR assay


Bioorg Med Chem Lett 23: 330-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.091
BindingDB Entry DOI: 10.7270/Q2V12656
More data for this
Ligand-Target Pair