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BDBM50205794 (E)-2-(4-fluoro-2-methoxystyryl)-5-(2-fluorophenylsulfonyl)pyridine::CHEMBL240878

SMILES: COc1cc(F)ccc1\C=C\c1ccc(cn1)S(=O)(=O)c1ccccc1F

InChI Key: InChIKey=KWUCWCAVKSOOTH-VQHVLOKHSA-N

Data: 4 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 4 hits for monomerid = 50205794   
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))
BDBM50205794
PNG
((E)-2-(4-fluoro-2-methoxystyryl)-5-(2-fluorophenyl...)
Show SMILES COc1cc(F)ccc1\C=C\c1ccc(cn1)S(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C20H15F2NO3S/c1-26-19-12-15(21)8-6-14(19)7-9-16-10-11-17(13-23-16)27(24,25)20-5-3-2-4-18(20)22/h2-13H,1H3/b9-7+
PDB
MMDB

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Article
PubMed
65n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5HT2A receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 2643-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.098
BindingDB Entry DOI: 10.7270/Q2F47PZH
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50205794
PNG
((E)-2-(4-fluoro-2-methoxystyryl)-5-(2-fluorophenyl...)
Show SMILES COc1cc(F)ccc1\C=C\c1ccc(cn1)S(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C20H15F2NO3S/c1-26-19-12-15(21)8-6-14(19)7-9-16-10-11-17(13-23-16)27(24,25)20-5-3-2-4-18(20)22/h2-13H,1H3/b9-7+
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Article
PubMed
1.40E+3n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in HEK cells


Bioorg Med Chem Lett 17: 2643-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.098
BindingDB Entry DOI: 10.7270/Q2F47PZH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50205794
PNG
((E)-2-(4-fluoro-2-methoxystyryl)-5-(2-fluorophenyl...)
Show SMILES COc1cc(F)ccc1\C=C\c1ccc(cn1)S(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C20H15F2NO3S/c1-26-19-12-15(21)8-6-14(19)7-9-16-10-11-17(13-23-16)27(24,25)20-5-3-2-4-18(20)22/h2-13H,1H3/b9-7+
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PubMed
1.40E+3n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Displacement of [3H]mesurgeline from human 5HT2C receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 2643-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.098
BindingDB Entry DOI: 10.7270/Q2F47PZH
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50205794
PNG
((E)-2-(4-fluoro-2-methoxystyryl)-5-(2-fluorophenyl...)
Show SMILES COc1cc(F)ccc1\C=C\c1ccc(cn1)S(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C20H15F2NO3S/c1-26-19-12-15(21)8-6-14(19)7-9-16-10-11-17(13-23-16)27(24,25)20-5-3-2-4-18(20)22/h2-13H,1H3/b9-7+
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PubMed
>2.00E+3n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 2643-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.098
BindingDB Entry DOI: 10.7270/Q2F47PZH
More data for this
Ligand-Target Pair