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Compile Data Set for Download or QSAR

Found 7 hits of ic50 for monomerid = 50020891   
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
Sodium- and chloride-dependent GABA transporter 1


(Homo sapiens (Human))
BDBM50020891
PNG
((R)-1-(4,4-Diphenyl-but-3-enyl)-piperidine-3-carbo...)
Show SMILES [#8]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]\[#6]=[#6](/c2ccccc2)-c2ccccc2)-[#6]-1
Show InChI InChI=1S/C22H25NO2/c24-22(25)20-13-7-15-23(17-20)16-8-14-21(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-12,14,20H,7-8,13,15-17H2,(H,24,25)/t20-/m1/s1
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n/an/a 130n/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against human GABA transporter-1 (hGAT1)


J Med Chem 37: 2334-42 (1994)


BindingDB Entry DOI: 10.7270/Q2P849XX
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)
BDBM50020891
PNG
((R)-1-(4,4-Diphenyl-but-3-enyl)-piperidine-3-carbo...)
Show SMILES [#8]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]\[#6]=[#6](/c2ccccc2)-c2ccccc2)-[#6]-1
Show InChI InChI=1S/C22H25NO2/c24-22(25)20-13-7-15-23(17-20)16-8-14-21(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-12,14,20H,7-8,13,15-17H2,(H,24,25)/t20-/m1/s1
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Article
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n/an/a 692n/an/an/an/an/an/a



Ludwig-Maximilians-University Munich

Curated by ChEMBL


Assay Description
Inhibition of mouse GAT1 expressed in HEK cells assessed as inhibition of [3H]-GABA uptake after 25 mins by liquid scintillation counting analysis


Bioorg Med Chem 21: 3363-78 (2013)


Article DOI: 10.1016/j.bmc.2013.02.056
BindingDB Entry DOI: 10.7270/Q23N269C
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 3


(Mus musculus)
BDBM50020891
PNG
((R)-1-(4,4-Diphenyl-but-3-enyl)-piperidine-3-carbo...)
Show SMILES [#8]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]\[#6]=[#6](/c2ccccc2)-c2ccccc2)-[#6]-1
Show InChI InChI=1S/C22H25NO2/c24-22(25)20-13-7-15-23(17-20)16-8-14-21(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-12,14,20H,7-8,13,15-17H2,(H,24,25)/t20-/m1/s1
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n/an/a 1.95E+5n/an/an/an/an/an/a



Ludwig-Maximilians-University Munich

Curated by ChEMBL


Assay Description
Inhibition of mouse GAT3 expressed in HEK cells assessed as inhibition of [3H]-GABA uptake after 25 mins by liquid scintillation counting analysis


Bioorg Med Chem 21: 3363-78 (2013)


Article DOI: 10.1016/j.bmc.2013.02.056
BindingDB Entry DOI: 10.7270/Q23N269C
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(Mus musculus)
BDBM50020891
PNG
((R)-1-(4,4-Diphenyl-but-3-enyl)-piperidine-3-carbo...)
Show SMILES [#8]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]\[#6]=[#6](/c2ccccc2)-c2ccccc2)-[#6]-1
Show InChI InChI=1S/C22H25NO2/c24-22(25)20-13-7-15-23(17-20)16-8-14-21(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-12,14,20H,7-8,13,15-17H2,(H,24,25)/t20-/m1/s1
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n/an/a 3.72E+5n/an/an/an/an/an/a



Ludwig-Maximilians-University Munich

Curated by ChEMBL


Assay Description
Inhibition of mouse GAT2 expressed in HEK cells assessed as inhibition of [3H]-GABA uptake after 25 mins by liquid scintillation counting analysis


Bioorg Med Chem 21: 3363-78 (2013)


Article DOI: 10.1016/j.bmc.2013.02.056
BindingDB Entry DOI: 10.7270/Q23N269C
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(Rattus norvegicus)
BDBM50020891
PNG
((R)-1-(4,4-Diphenyl-but-3-enyl)-piperidine-3-carbo...)
Show SMILES [#8]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]\[#6]=[#6](/c2ccccc2)-c2ccccc2)-[#6]-1
Show InChI InChI=1S/C22H25NO2/c24-22(25)20-13-7-15-23(17-20)16-8-14-21(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-12,14,20H,7-8,13,15-17H2,(H,24,25)/t20-/m1/s1
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n/an/a 5.50E+5n/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against rat GABA transporter-2 (rGAT2)


J Med Chem 37: 2334-42 (1994)


BindingDB Entry DOI: 10.7270/Q2P849XX
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 3


(Homo sapiens (Human))
BDBM50020891
PNG
((R)-1-(4,4-Diphenyl-but-3-enyl)-piperidine-3-carbo...)
Show SMILES [#8]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]\[#6]=[#6](/c2ccccc2)-c2ccccc2)-[#6]-1
Show InChI InChI=1S/C22H25NO2/c24-22(25)20-13-7-15-23(17-20)16-8-14-21(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-12,14,20H,7-8,13,15-17H2,(H,24,25)/t20-/m1/s1
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n/an/a 1.99E+6n/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against human sodium and chloride dependent GABA transporter 3


J Med Chem 37: 2334-42 (1994)


BindingDB Entry DOI: 10.7270/Q2P849XX
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter


(Homo sapiens (Human))
BDBM50020891
PNG
((R)-1-(4,4-Diphenyl-but-3-enyl)-piperidine-3-carbo...)
Show SMILES [#8]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]\[#6]=[#6](/c2ccccc2)-c2ccccc2)-[#6]-1
Show InChI InChI=1S/C22H25NO2/c24-22(25)20-13-7-15-23(17-20)16-8-14-21(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-12,14,20H,7-8,13,15-17H2,(H,24,25)/t20-/m1/s1
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n/an/a 7.21E+6n/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibition of human GABA transporter (hBGT-1) activity.


J Med Chem 37: 2334-42 (1994)


BindingDB Entry DOI: 10.7270/Q2P849XX
More data for this
Ligand-Target Pair