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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 353.4
BDBM50156402

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 6 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 1F


(Homo sapiens (Human))
BDBM50156402
PNG
(4-Fluoro-N-[3-(1-methyl-piperidin-4-yl)-2,3-dihydr...)
Show SMILES CN1CCC(CC1)C1CNc2ccc(NC(=O)c3ccc(F)cc3)cc12
Show InChI InChI=1S/C21H24FN3O/c1-25-10-8-14(9-11-25)19-13-23-20-7-6-17(12-18(19)20)24-21(26)15-2-4-16(22)5-3-15/h2-7,12,14,19,23H,8-11,13H2,1H3,(H,24,26)
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8.60n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human 5-hydroxytryptamine 1F receptor


Bioorg Med Chem Lett 14: 6011-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.079
BindingDB Entry DOI: 10.7270/Q23J3CFK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1F


(Homo sapiens (Human))
BDBM50156402
PNG
(4-Fluoro-N-[3-(1-methyl-piperidin-4-yl)-2,3-dihydr...)
Show SMILES CN1CCC(CC1)C1CNc2ccc(NC(=O)c3ccc(F)cc3)cc12
Show InChI InChI=1S/C21H24FN3O/c1-25-10-8-14(9-11-25)19-13-23-20-7-6-17(12-18(19)20)24-21(26)15-2-4-16(22)5-3-15/h2-7,12,14,19,23H,8-11,13H2,1H3,(H,24,26)
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9n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human 5-hydroxytryptamine 1F receptor


Bioorg Med Chem Lett 14: 6011-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.079
BindingDB Entry DOI: 10.7270/Q23J3CFK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1F


(Homo sapiens (Human))
BDBM50156402
PNG
(4-Fluoro-N-[3-(1-methyl-piperidin-4-yl)-2,3-dihydr...)
Show SMILES CN1CCC(CC1)C1CNc2ccc(NC(=O)c3ccc(F)cc3)cc12
Show InChI InChI=1S/C21H24FN3O/c1-25-10-8-14(9-11-25)19-13-23-20-7-6-17(12-18(19)20)24-21(26)15-2-4-16(22)5-3-15/h2-7,12,14,19,23H,8-11,13H2,1H3,(H,24,26)
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9.60n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human 5-hydroxytryptamine 1F receptor


Bioorg Med Chem Lett 14: 6011-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.079
BindingDB Entry DOI: 10.7270/Q23J3CFK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50156402
PNG
(4-Fluoro-N-[3-(1-methyl-piperidin-4-yl)-2,3-dihydr...)
Show SMILES CN1CCC(CC1)C1CNc2ccc(NC(=O)c3ccc(F)cc3)cc12
Show InChI InChI=1S/C21H24FN3O/c1-25-10-8-14(9-11-25)19-13-23-20-7-6-17(12-18(19)20)24-21(26)15-2-4-16(22)5-3-15/h2-7,12,14,19,23H,8-11,13H2,1H3,(H,24,26)
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250n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 14: 6011-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.079
BindingDB Entry DOI: 10.7270/Q23J3CFK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50156402
PNG
(4-Fluoro-N-[3-(1-methyl-piperidin-4-yl)-2,3-dihydr...)
Show SMILES CN1CCC(CC1)C1CNc2ccc(NC(=O)c3ccc(F)cc3)cc12
Show InChI InChI=1S/C21H24FN3O/c1-25-10-8-14(9-11-25)19-13-23-20-7-6-17(12-18(19)20)24-21(26)15-2-4-16(22)5-3-15/h2-7,12,14,19,23H,8-11,13H2,1H3,(H,24,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
250n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 14: 6011-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.079
BindingDB Entry DOI: 10.7270/Q23J3CFK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50156402
PNG
(4-Fluoro-N-[3-(1-methyl-piperidin-4-yl)-2,3-dihydr...)
Show SMILES CN1CCC(CC1)C1CNc2ccc(NC(=O)c3ccc(F)cc3)cc12
Show InChI InChI=1S/C21H24FN3O/c1-25-10-8-14(9-11-25)19-13-23-20-7-6-17(12-18(19)20)24-21(26)15-2-4-16(22)5-3-15/h2-7,12,14,19,23H,8-11,13H2,1H3,(H,24,26)
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2.30E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human 5-hydroxytryptamine 1D receptor


Bioorg Med Chem Lett 14: 6011-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.079
BindingDB Entry DOI: 10.7270/Q23J3CFK
More data for this
Ligand-Target Pair