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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 = 'BDBM50144843'   
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))
BDBM50144843
PNG
((S)-2-(5-Fluoro-6-trifluoromethyl-2,3-dihydro-indo...)
Show SMILES C[C@H](N)CN1CCc2cc(F)c(cc12)C(F)(F)F
Show InChI InChI=1S/C12H14F4N2/c1-7(17)6-18-3-2-8-4-10(13)9(5-11(8)18)12(14,15)16/h4-5,7H,2-3,6,17H2,1H3/t7-/m0/s1
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PC cid
PC sid
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Article
PubMed
26n/an/an/an/an/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Affinity for human 5-hydroxytryptamine 2C receptor expressed in mammalian cell line


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50144843
PNG
((S)-2-(5-Fluoro-6-trifluoromethyl-2,3-dihydro-indo...)
Show SMILES C[C@H](N)CN1CCc2cc(F)c(cc12)C(F)(F)F
Show InChI InChI=1S/C12H14F4N2/c1-7(17)6-18-3-2-8-4-10(13)9(5-11(8)18)12(14,15)16/h4-5,7H,2-3,6,17H2,1H3/t7-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 130n/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Functional activity against human 5-hydroxytryptamine 2C receptor expressed in CHO cells using fluorometricimaging plate reader


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair