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BDBM50364321 CHEMBL1949773

SMILES: Fc1cc(F)cc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1

InChI Key: InChIKey=FECXTVAJHWAPLK-RDJZCZTQSA-N

Data: 4 KI  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 6 hits for monomerid = 50364321   
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))
BDBM50364321
PNG
(CHEMBL1949773)
Show SMILES Fc1cc(F)cc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1 |r|
Show InChI InChI=1S/C17H15F2NO3S/c18-10-5-11(19)7-13(6-10)24(21,22)12-1-2-14-15-3-4-20-9-17(15)23-16(14)8-12/h1-2,5-8,15,17,20H,3-4,9H2/t15-,17-/m0/s1
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28n/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))
BDBM50364321
PNG
(CHEMBL1949773)
Show SMILES Fc1cc(F)cc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1 |r|
Show InChI InChI=1S/C17H15F2NO3S/c18-10-5-11(19)7-13(6-10)24(21,22)12-1-2-14-15-3-4-20-9-17(15)23-16(14)8-12/h1-2,5-8,15,17,20H,3-4,9H2/t15-,17-/m0/s1
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166n/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
HTR6


(RAT)
BDBM50364321
PNG
(CHEMBL1949773)
Show SMILES Fc1cc(F)cc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1 |r|
Show InChI InChI=1S/C17H15F2NO3S/c18-10-5-11(19)7-13(6-10)24(21,22)12-1-2-14-15-3-4-20-9-17(15)23-16(14)8-12/h1-2,5-8,15,17,20H,3-4,9H2/t15-,17-/m0/s1
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174n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from rat 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
HTR6


(RAT)
BDBM50364321
PNG
(CHEMBL1949773)
Show SMILES Fc1cc(F)cc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1 |r|
Show InChI InChI=1S/C17H15F2NO3S/c18-10-5-11(19)7-13(6-10)24(21,22)12-1-2-14-15-3-4-20-9-17(15)23-16(14)8-12/h1-2,5-8,15,17,20H,3-4,9H2/t15-,17-/m0/s1
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2.18E+3n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from rat 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))
BDBM50364321
PNG
(CHEMBL1949773)
Show SMILES Fc1cc(F)cc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1 |r|
Show InChI InChI=1S/C17H15F2NO3S/c18-10-5-11(19)7-13(6-10)24(21,22)12-1-2-14-15-3-4-20-9-17(15)23-16(14)8-12/h1-2,5-8,15,17,20H,3-4,9H2/t15-,17-/m0/s1
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n/an/a 1.36E+3n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT6 receptor expressed in human astrocytoma cells assessed as inhibition of cAMP production


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))
BDBM50364321
PNG
(CHEMBL1949773)
Show SMILES Fc1cc(F)cc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1 |r|
Show InChI InChI=1S/C17H15F2NO3S/c18-10-5-11(19)7-13(6-10)24(21,22)12-1-2-14-15-3-4-20-9-17(15)23-16(14)8-12/h1-2,5-8,15,17,20H,3-4,9H2/t15-,17-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
n/an/a 96n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT6 receptor expressed in human astrocytoma cells assessed as inhibition of cAMP production


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