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BDBM50205789 (E)-5-(4-fluorostyryl)-2-(4-fluorophenylsulfonyl)pyridine::CHEMBL240840

SMILES: Fc1ccc(\C=C\c2ccc(nc2)S(=O)(=O)c2ccc(F)cc2)cc1

InChI Key: InChIKey=BPSGUTHNLYFYMX-OWOJBTEDSA-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 = 50205789   
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))
BDBM50205789
PNG
((E)-5-(4-fluorostyryl)-2-(4-fluorophenylsulfonyl)p...)
Show SMILES Fc1ccc(\C=C\c2ccc(nc2)S(=O)(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C19H13F2NO2S/c20-16-6-3-14(4-7-16)1-2-15-5-12-19(22-13-15)25(23,24)18-10-8-17(21)9-11-18/h1-13H/b2-1+
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
28n/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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50205789
PNG
((E)-5-(4-fluorostyryl)-2-(4-fluorophenylsulfonyl)p...)
Show SMILES Fc1ccc(\C=C\c2ccc(nc2)S(=O)(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C19H13F2NO2S/c20-16-6-3-14(4-7-16)1-2-15-5-12-19(22-13-15)25(23,24)18-10-8-17(21)9-11-18/h1-13H/b2-1+
PDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50205789
PNG
((E)-5-(4-fluorostyryl)-2-(4-fluorophenylsulfonyl)p...)
Show SMILES Fc1ccc(\C=C\c2ccc(nc2)S(=O)(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C19H13F2NO2S/c20-16-6-3-14(4-7-16)1-2-15-5-12-19(22-13-15)25(23,24)18-10-8-17(21)9-11-18/h1-13H/b2-1+
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
3.30E+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))
BDBM50205789
PNG
((E)-5-(4-fluorostyryl)-2-(4-fluorophenylsulfonyl)p...)
Show SMILES Fc1ccc(\C=C\c2ccc(nc2)S(=O)(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C19H13F2NO2S/c20-16-6-3-14(4-7-16)1-2-15-5-12-19(22-13-15)25(23,24)18-10-8-17(21)9-11-18/h1-13H/b2-1+
Reactome pathway
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>4.00E+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