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SMILES: OC1(CCc2ccc(F)cc2F)CCN(CC1)S(=O)(=O)c1ccc(F)cc1

InChI Key: InChIKey=XWWMSPYJKMBSOT-UHFFFAOYSA-N

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 = 50185776   
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))
BDBM50185776
PNG
(4-(2,4-difluorophenethyl)-1-(4-fluorophenylsulfony...)
Show SMILES OC1(CCc2ccc(F)cc2F)CCN(CC1)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C19H20F3NO3S/c20-15-3-5-17(6-4-15)27(25,26)23-11-9-19(24,10-12-23)8-7-14-1-2-16(21)13-18(14)22/h1-6,13,24H,7-12H2
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Article
PubMed
190n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2A


Bioorg Med Chem Lett 16: 3201-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.050
BindingDB Entry DOI: 10.7270/Q20K2867
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50185776
PNG
(4-(2,4-difluorophenethyl)-1-(4-fluorophenylsulfony...)
Show SMILES OC1(CCc2ccc(F)cc2F)CCN(CC1)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C19H20F3NO3S/c20-15-3-5-17(6-4-15)27(25,26)23-11-9-19(24,10-12-23)8-7-14-1-2-16(21)13-18(14)22/h1-6,13,24H,7-12H2
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PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Binding affinity to human D2 receptor


Bioorg Med Chem Lett 16: 3201-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.050
BindingDB Entry DOI: 10.7270/Q20K2867
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50185776
PNG
(4-(2,4-difluorophenethyl)-1-(4-fluorophenylsulfony...)
Show SMILES OC1(CCc2ccc(F)cc2F)CCN(CC1)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C19H20F3NO3S/c20-15-3-5-17(6-4-15)27(25,26)23-11-9-19(24,10-12-23)8-7-14-1-2-16(21)13-18(14)22/h1-6,13,24H,7-12H2
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PubMed
>4.00E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C


Bioorg Med Chem Lett 16: 3201-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.050
BindingDB Entry DOI: 10.7270/Q20K2867
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50185776
PNG
(4-(2,4-difluorophenethyl)-1-(4-fluorophenylsulfony...)
Show SMILES OC1(CCc2ccc(F)cc2F)CCN(CC1)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C19H20F3NO3S/c20-15-3-5-17(6-4-15)27(25,26)23-11-9-19(24,10-12-23)8-7-14-1-2-16(21)13-18(14)22/h1-6,13,24H,7-12H2
PDB
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Article
PubMed
>9.00E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Binding affinity to human IKr


Bioorg Med Chem Lett 16: 3201-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.050
BindingDB Entry DOI: 10.7270/Q20K2867
More data for this
Ligand-Target Pair