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BDBM50320370 (E)-2,4-difluoro-1-(4-(phenylsulfonyl)styryl)benzene::CHEMBL1082773

SMILES: Fc1ccc(\C=C\c2ccc(cc2)S(=O)(=O)c2ccccc2)c(F)c1

InChI Key: InChIKey=QNZBVIYOTZMPOA-RMKNXTFCSA-N

Data: 3 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 3 hits for monomerid = 50320370   
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))
BDBM50320370
PNG
((E)-2,4-difluoro-1-(4-(phenylsulfonyl)styryl)benze...)
Show SMILES Fc1ccc(\C=C\c2ccc(cc2)S(=O)(=O)c2ccccc2)c(F)c1
Show InChI InChI=1S/C20H14F2O2S/c21-17-11-10-16(20(22)14-17)9-6-15-7-12-19(13-8-15)25(23,24)18-4-2-1-3-5-18/h1-14H/b9-6+
PDB
MMDB

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KEGG

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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
1.32n/an/an/an/an/an/an/an/a



Merck Sharp& Dohme

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 3708-12 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.090
BindingDB Entry DOI: 10.7270/Q2RX9C89
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50320370
PNG
((E)-2,4-difluoro-1-(4-(phenylsulfonyl)styryl)benze...)
Show SMILES Fc1ccc(\C=C\c2ccc(cc2)S(=O)(=O)c2ccccc2)c(F)c1
Show InChI InChI=1S/C20H14F2O2S/c21-17-11-10-16(20(22)14-17)9-6-15-7-12-19(13-8-15)25(23,24)18-4-2-1-3-5-18/h1-14H/b9-6+
Reactome pathway
KEGG

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PC sid
UniChem

Patents

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



Merck Sharp& Dohme

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 3708-12 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.090
BindingDB Entry DOI: 10.7270/Q2RX9C89
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50320370
PNG
((E)-2,4-difluoro-1-(4-(phenylsulfonyl)styryl)benze...)
Show SMILES Fc1ccc(\C=C\c2ccc(cc2)S(=O)(=O)c2ccccc2)c(F)c1
Show InChI InChI=1S/C20H14F2O2S/c21-17-11-10-16(20(22)14-17)9-6-15-7-12-19(13-8-15)25(23,24)18-4-2-1-3-5-18/h1-14H/b9-6+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
4.34E+3n/an/an/an/an/an/an/an/a



Merck Sharp& Dohme

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG receptor expressed HEK cells


Bioorg Med Chem Lett 20: 3708-12 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.090
BindingDB Entry DOI: 10.7270/Q2RX9C89
More data for this
Ligand-Target Pair