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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 = 'BDBM50428527'   
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))
BDBM50428527
PNG
(CHEMBL2337106)
Show SMILES CCc1cc2[C@H]3CNC[C@@H]3NC(=O)c2c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C14H15F3N2O/c1-2-7-3-8-9-5-18-6-11(9)19-13(20)12(8)10(4-7)14(15,16)17/h3-4,9,11,18H,2,5-6H2,1H3,(H,19,20)/t9-,11+/m1/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
34n/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))
BDBM50428527
PNG
(CHEMBL2337106)
Show SMILES CCc1cc2[C@H]3CNC[C@@H]3NC(=O)c2c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C14H15F3N2O/c1-2-7-3-8-9-5-18-6-11(9)19-13(20)12(8)10(4-7)14(15,16)17/h3-4,9,11,18H,2,5-6H2,1H3,(H,19,20)/t9-,11+/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 4.30n/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