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SMILES: Fc1ccc(CCC2CCN(CC2)S(=O)(=O)c2ccccc2Cl)c(F)c1

InChI Key: InChIKey=LTGPPWQSUYQXOO-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 = 50185782   
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))
BDBM50185782
PNG
(4-(2,4-difluorophenethyl)-1-(2-chlorophenylsulfony...)
Show SMILES Fc1ccc(CCC2CCN(CC2)S(=O)(=O)c2ccccc2Cl)c(F)c1
Show InChI InChI=1S/C19H20ClF2NO2S/c20-17-3-1-2-4-19(17)26(24,25)23-11-9-14(10-12-23)5-6-15-7-8-16(21)13-18(15)22/h1-4,7-8,13-14H,5-6,9-12H2
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Article
PubMed
6.10n/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
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50185782
PNG
(4-(2,4-difluorophenethyl)-1-(2-chlorophenylsulfony...)
Show SMILES Fc1ccc(CCC2CCN(CC2)S(=O)(=O)c2ccccc2Cl)c(F)c1
Show InChI InChI=1S/C19H20ClF2NO2S/c20-17-3-1-2-4-19(17)26(24,25)23-11-9-14(10-12-23)5-6-15-7-8-16(21)13-18(15)22/h1-4,7-8,13-14H,5-6,9-12H2
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404n/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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50185782
PNG
(4-(2,4-difluorophenethyl)-1-(2-chlorophenylsulfony...)
Show SMILES Fc1ccc(CCC2CCN(CC2)S(=O)(=O)c2ccccc2Cl)c(F)c1
Show InChI InChI=1S/C19H20ClF2NO2S/c20-17-3-1-2-4-19(17)26(24,25)23-11-9-14(10-12-23)5-6-15-7-8-16(21)13-18(15)22/h1-4,7-8,13-14H,5-6,9-12H2
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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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50185782
PNG
(4-(2,4-difluorophenethyl)-1-(2-chlorophenylsulfony...)
Show SMILES Fc1ccc(CCC2CCN(CC2)S(=O)(=O)c2ccccc2Cl)c(F)c1
Show InChI InChI=1S/C19H20ClF2NO2S/c20-17-3-1-2-4-19(17)26(24,25)23-11-9-14(10-12-23)5-6-15-7-8-16(21)13-18(15)22/h1-4,7-8,13-14H,5-6,9-12H2
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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