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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 6' and Ligand = 'BDBM50364324'   
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 6


(Homo sapiens (Human))
BDBM50364324
PNG
(CHEMBL1949677)
Show SMILES CC(C)Oc1cc(F)cc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1 |r|
Show InChI InChI=1S/C20H22FNO4S/c1-12(2)25-14-7-13(21)8-16(9-14)27(23,24)15-3-4-17-18-5-6-22-11-20(18)26-19(17)10-15/h3-4,7-10,12,18,20,22H,5-6,11H2,1-2H3/t18-,20-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
49n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 1421-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50364324
PNG
(CHEMBL1949677)
Show SMILES CC(C)Oc1cc(F)cc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1 |r|
Show InChI InChI=1S/C20H22FNO4S/c1-12(2)25-14-7-13(21)8-16(9-14)27(23,24)15-3-4-17-18-5-6-22-11-20(18)26-19(17)10-15/h3-4,7-10,12,18,20,22H,5-6,11H2,1-2H3/t18-,20-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
49n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 1421-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.026
BindingDB Entry DOI: 10.7270/Q20Z73R1
More data for this
Ligand-Target Pair