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BDBM50169841 4-(4-Chloro-benzenesulfonyl)-1-[2-(2,4-difluoro-phenyl)-ethyl]-4-fluoro-piperidine::CHEMBL175544

SMILES: Fc1ccc(CCN2CCC(F)(CC2)S(=O)(=O)c2ccc(Cl)cc2)c(F)c1

InChI Key: InChIKey=WGCMIWIMQFOYOI-UHFFFAOYSA-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 = 50169841   
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))
BDBM50169841
PNG
(4-(4-Chloro-benzenesulfonyl)-1-[2-(2,4-difluoro-ph...)
Show SMILES Fc1ccc(CCN2CCC(F)(CC2)S(=O)(=O)c2ccc(Cl)cc2)c(F)c1
Show InChI InChI=1S/C19H19ClF3NO2S/c20-15-2-5-17(6-3-15)27(25,26)19(23)8-11-24(12-9-19)10-7-14-1-4-16(21)13-18(14)22/h1-6,13H,7-12H2
PDB
MMDB

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Article
PubMed
0.640n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 15: 3665-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.104
BindingDB Entry DOI: 10.7270/Q2HM580P
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50169841
PNG
(4-(4-Chloro-benzenesulfonyl)-1-[2-(2,4-difluoro-ph...)
Show SMILES Fc1ccc(CCN2CCC(F)(CC2)S(=O)(=O)c2ccc(Cl)cc2)c(F)c1
Show InChI InChI=1S/C19H19ClF3NO2S/c20-15-2-5-17(6-3-15)27(25,26)19(23)8-11-24(12-9-19)10-7-14-1-4-16(21)13-18(14)22/h1-6,13H,7-12H2
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Article
PubMed
397n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Binding affinity against human IKr channel


Bioorg Med Chem Lett 15: 3665-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.104
BindingDB Entry DOI: 10.7270/Q2HM580P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50169841
PNG
(4-(4-Chloro-benzenesulfonyl)-1-[2-(2,4-difluoro-ph...)
Show SMILES Fc1ccc(CCN2CCC(F)(CC2)S(=O)(=O)c2ccc(Cl)cc2)c(F)c1
Show InChI InChI=1S/C19H19ClF3NO2S/c20-15-2-5-17(6-3-15)27(25,26)19(23)8-11-24(12-9-19)10-7-14-1-4-16(21)13-18(14)22/h1-6,13H,7-12H2
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Article
PubMed
398n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 2c receptor


Bioorg Med Chem Lett 15: 3665-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.104
BindingDB Entry DOI: 10.7270/Q2HM580P
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50169841
PNG
(4-(4-Chloro-benzenesulfonyl)-1-[2-(2,4-difluoro-ph...)
Show SMILES Fc1ccc(CCN2CCC(F)(CC2)S(=O)(=O)c2ccc(Cl)cc2)c(F)c1
Show InChI InChI=1S/C19H19ClF3NO2S/c20-15-2-5-17(6-3-15)27(25,26)19(23)8-11-24(12-9-19)10-7-14-1-4-16(21)13-18(14)22/h1-6,13H,7-12H2
PDB

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Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Binding affinity against human Dopamine receptor D2


Bioorg Med Chem Lett 15: 3665-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.104
BindingDB Entry DOI: 10.7270/Q2HM580P
More data for this
Ligand-Target Pair