BindingDB logo
myBDB logout

BDBM50361066 CHEMBL1933413

SMILES: CN(C1CCN(C)CC1)S(=O)(=O)c1ccccc1Cl

InChI Key: InChIKey=FUTBMBRHTKOSLD-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50361066   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50361066
PNG
(CHEMBL1933413)
Show SMILES CN(C1CCN(C)CC1)S(=O)(=O)c1ccccc1Cl
Show InChI InChI=1S/C13H19ClN2O2S/c1-15-9-7-11(8-10-15)16(2)19(17,18)13-6-4-3-5-12(13)14/h3-6,11H,7-10H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human recombinant 5HT2C receptor expressed in CHOK1 cells after 60 mins


Bioorg Med Chem Lett 22: 347-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.001
BindingDB Entry DOI: 10.7270/Q2125T3S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50361066
PNG
(CHEMBL1933413)
Show SMILES CN(C1CCN(C)CC1)S(=O)(=O)c1ccccc1Cl
Show InChI InChI=1S/C13H19ClN2O2S/c1-15-9-7-11(8-10-15)16(2)19(17,18)13-6-4-3-5-12(13)14/h3-6,11H,7-10H2,1-2H3
Reactome pathway
KEGG

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.18E+3n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from human recombinant 5HT2A receptor expressed in CHOK1 cells after 60 mins


Bioorg Med Chem Lett 22: 347-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.001
BindingDB Entry DOI: 10.7270/Q2125T3S
More data for this
Ligand-Target Pair