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BDBM50361081 CHEMBL1509570

SMILES: COc1ccc(cc1)S(=O)(=O)N(C)C1CCN(C)CC1

InChI Key: InChIKey=LNGQSIFKSWPQHF-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50361081   
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 2A


(Homo sapiens (Human))
BDBM50361081
PNG
(CHEMBL1509570)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C)C1CCN(C)CC1
Show InChI InChI=1S/C14H22N2O3S/c1-15-10-8-12(9-11-15)16(2)20(17,18)14-6-4-13(19-3)5-7-14/h4-7,12H,8-11H2,1-3H3
PDB
MMDB

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Article
PubMed
n/an/a 831n/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
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50361081
PNG
(CHEMBL1509570)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C)C1CCN(C)CC1
Show InChI InChI=1S/C14H22N2O3S/c1-15-10-8-12(9-11-15)16(2)20(17,18)14-6-4-13(19-3)5-7-14/h4-7,12H,8-11H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.86E+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