BindingDB logo
myBDB logout

BDBM50416031 CHEMBL1084604

SMILES: OCC(=O)NC[C@@H]1CCCc2cc(cc(F)c12)S(=O)(=O)c1cccc(F)c1

InChI Key: InChIKey=XEXJJOXMIXVJEI-ZDUSSCGKSA-N

Data: 1 KI

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 1 hit for monomerid = 50416031   
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 6


(Homo sapiens (Human))
BDBM50416031
PNG
(CHEMBL1084604)
Show SMILES OCC(=O)NC[C@@H]1CCCc2cc(cc(F)c12)S(=O)(=O)c1cccc(F)c1 |r|
Show InChI InChI=1S/C19H19F2NO4S/c20-14-5-2-6-15(8-14)27(25,26)16-7-12-3-1-4-13(10-22-18(24)11-23)19(12)17(21)9-16/h2,5-9,13,23H,1,3-4,10-11H2,(H,22,24)/t13-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.251n/an/an/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD form human recombinant 5HT6 receptor


Bioorg Med Chem Lett 20: 3436-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.110
BindingDB Entry DOI: 10.7270/Q2GX4CT3
More data for this
Ligand-Target Pair