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PubMed code 19703775

Compile data set for download or QSAR
Found 24 hits of Enzyme Inhibition Constant Data   
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


(Mus musculus)		BDBM50039251
PNG
((R)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl)pi...)
Show SMILES [#6]-c1ccsc1\[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1sccc1-[#6] |r|
Show InChI InChI=1S/C20H25NO2S2/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23)/t16-/m1/s1
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n/an/a 191n/an/an/an/an/an/a



Institute of Microbiology

Curated by ChEMBL


Assay Description
Inhibition of GAT1 in mouse D8 cells assessed as [3H]GABA transport by liquid scintillation counting

Bioorg Med Chem 17: 6540-6 (2009)


Article DOI: 10.1016/j.bmc.2009.08.010
BindingDB Entry DOI: 10.7270/Q26110DK
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 1


(Mus musculus)		BDBM50304268
PNG
((S)-2-(1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl...)
Show SMILES [#6]-c1ccsc1\[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6]-[#6](-[#8])=O)-c1sccc1-[#6] |r|
Show InChI InChI=1S/C20H25NO2S2/c1-14-7-11-24-19(14)17(20-15(2)8-12-25-20)6-4-10-21-9-3-5-16(21)13-18(22)23/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23)/t16-/m0/s1
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n/an/a 340n/an/an/an/an/an/a



Institute of Microbiology

Curated by ChEMBL


Assay Description
Inhibition of GAT1 in mouse D8 cells assessed as [3H]GABA transport by liquid scintillation counting

Bioorg Med Chem 17: 6540-6 (2009)


Article DOI: 10.1016/j.bmc.2009.08.010
BindingDB Entry DOI: 10.7270/Q26110DK
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Mus musculus)		BDBM50304266
PNG
((S)-2-(1-(4,4-diphenylbut-3-enyl)pyrrolidin-2-yl)a...)
Show SMILES [#8]-[#6](=O)-[#6]-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6]=[#6](\c1ccccc1)-c1ccccc1 |r|
Show InChI InChI=1S/C22H25NO2/c24-22(25)17-20-13-7-15-23(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-/m0/s1
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n/an/a 400n/an/an/an/an/an/a



Institute of Microbiology

Curated by ChEMBL


Assay Description
Inhibition of GAT1 in mouse D8 cells assessed as [3H]GABA transport by liquid scintillation counting

Bioorg Med Chem 17: 6540-6 (2009)


Article DOI: 10.1016/j.bmc.2009.08.010
BindingDB Entry DOI: 10.7270/Q26110DK
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Mus musculus)		BDBM50304267
PNG
((S)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl)py...)
Show SMILES [#6]-c1ccsc1\[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](-[#8])=O)-c1sccc1-[#6] |r|
Show InChI InChI=1S/C19H23NO2S2/c1-13-7-11-23-17(13)15(18-14(2)8-12-24-18)5-3-9-20-10-4-6-16(20)19(21)22/h5,7-8,11-12,16H,3-4,6,9-10H2,1-2H3,(H,21,22)/t16-/m0/s1
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n/an/a 650n/an/an/an/an/an/a



Institute of Microbiology

Curated by ChEMBL


Assay Description
Inhibition of GAT1 in mouse D8 cells assessed as [3H]GABA transport by liquid scintillation counting

Bioorg Med Chem 17: 6540-6 (2009)


Article DOI: 10.1016/j.bmc.2009.08.010
BindingDB Entry DOI: 10.7270/Q26110DK
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Mus musculus)		BDBM50304265
PNG
((S)-1-(4,4-diphenylbut-3-enyl)pyrrolidine-2-carbox...)
Show SMILES [#8]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6]=[#6](\c1ccccc1)-c1ccccc1 |r|
Show InChI InChI=1S/C21H23NO2/c23-21(24)20-14-8-16-22(20)15-7-13-19(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-13,20H,7-8,14-16H2,(H,23,24)/t20-/m0/s1
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n/an/a 2.56E+3n/an/an/an/an/an/a



Institute of Microbiology

Curated by ChEMBL


Assay Description
Inhibition of GAT1 in mouse D8 cells assessed as [3H]GABA transport by liquid scintillation counting

Bioorg Med Chem 17: 6540-6 (2009)


Article DOI: 10.1016/j.bmc.2009.08.010
BindingDB Entry DOI: 10.7270/Q26110DK
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Mus musculus)		BDBM50304263
PNG
(2-((2S,4R)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-...)
Show SMILES [#6]-c1ccsc1\[#6](=[#6]\[#6]-[#6]-[#7]-1-[#6]-[#6@H](F)-[#6]-[#6@@H]-1-[#6]-[#6](-[#8])=O)-c1sccc1-[#6] |r|
Show InChI InChI=1S/C20H24FNO2S2/c1-13-5-8-25-19(13)17(20-14(2)6-9-26-20)4-3-7-22-12-15(21)10-16(22)11-18(23)24/h4-6,8-9,15-16H,3,7,10-12H2,1-2H3,(H,23,24)/t15-,16-/m1/s1
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n/an/a 2.97E+3n/an/an/an/an/an/a



Institute of Microbiology

Curated by ChEMBL


Assay Description
Inhibition of GAT1 in mouse D8 cells assessed as [3H]GABA transport by liquid scintillation counting

Bioorg Med Chem 17: 6540-6 (2009)


Article DOI: 10.1016/j.bmc.2009.08.010
BindingDB Entry DOI: 10.7270/Q26110DK
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Mus musculus)		BDBM50304271
PNG
(2-((2S,4R)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-...)
Show SMILES [#6]-c1ccsc1\[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6@H](-[#8])-[#6]-[#6@H]-1-[#6]-[#6](-[#8])=O)-c1sccc1-[#6] |r|
Show InChI InChI=1S/C20H25NO3S2/c1-13-5-8-25-19(13)17(20-14(2)6-9-26-20)4-3-7-21-12-16(22)10-15(21)11-18(23)24/h4-6,8-9,15-16,22H,3,7,10-12H2,1-2H3,(H,23,24)/t15-,16+/m0/s1
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n/an/a 3.15E+3n/an/an/an/an/an/a



Institute of Microbiology

Curated by ChEMBL


Assay Description
Inhibition of GAT1 in mouse D8 cells assessed as [3H]GABA transport by liquid scintillation counting

Bioorg Med Chem 17: 6540-6 (2009)


Article DOI: 10.1016/j.bmc.2009.08.010
BindingDB Entry DOI: 10.7270/Q26110DK
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Mus musculus)		BDBM50304270
PNG
(2-((2S,4R)-1-(4,4-diphenylbut-3-enyl)-4-hydroxypyr...)
Show SMILES [#8]-[#6@@H]-1-[#6]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#7](-[#6]-[#6]\[#6]=[#6](\c2ccccc2)-c2ccccc2)-[#6]-1 |r|
Show InChI InChI=1S/C22H25NO3/c24-20-14-19(15-22(25)26)23(16-20)13-7-12-21(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-12,19-20,24H,7,13-16H2,(H,25,26)/t19-,20+/m0/s1
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n/an/a 3.29E+3n/an/an/an/an/an/a



Institute of Microbiology

Curated by ChEMBL


Assay Description
Inhibition of GAT1 in mouse D8 cells assessed as [3H]GABA transport by liquid scintillation counting

Bioorg Med Chem 17: 6540-6 (2009)


Article DOI: 10.1016/j.bmc.2009.08.010
BindingDB Entry DOI: 10.7270/Q26110DK
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Mus musculus)		BDBM50304261
PNG
(2-((2S,4R)-1-(4,4-diphenylbut-3-enyl)-4-fluoropyrr...)
Show SMILES [#8]-[#6](=O)-[#6]-[#6@H]-1-[#6]-[#6@@H](F)-[#6]-[#7]-1-[#6]-[#6]\[#6]=[#6](\c1ccccc1)-c1ccccc1 |r|
Show InChI InChI=1S/C22H24FNO2/c23-19-14-20(15-22(25)26)24(16-19)13-7-12-21(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-12,19-20H,7,13-16H2,(H,25,26)/t19-,20-/m1/s1
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n/an/a 3.96E+3n/an/an/an/an/an/a



Institute of Microbiology

Curated by ChEMBL


Assay Description
Inhibition of GAT1 in mouse D8 cells assessed as [3H]GABA transport by liquid scintillation counting

Bioorg Med Chem 17: 6540-6 (2009)


Article DOI: 10.1016/j.bmc.2009.08.010
BindingDB Entry DOI: 10.7270/Q26110DK
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Mus musculus)		BDBM50304272
PNG
(2-((2S,4S)-1-(4,4-diphenylbut-3-enyl)-4-hydroxypyr...)
Show SMILES [#8]-[#6@H]-1-[#6]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#7](-[#6]-[#6]\[#6]=[#6](\c2ccccc2)-c2ccccc2)-[#6]-1 |r|
Show InChI InChI=1S/C22H25NO3/c24-20-14-19(15-22(25)26)23(16-20)13-7-12-21(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-12,19-20,24H,7,13-16H2,(H,25,26)/t19-,20-/m0/s1
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n/an/a 4.92E+3n/an/an/an/an/an/a



Institute of Microbiology

Curated by ChEMBL


Assay Description
Inhibition of GAT1 in mouse D8 cells assessed as [3H]GABA transport by liquid scintillation counting

Bioorg Med Chem 17: 6540-6 (2009)


Article DOI: 10.1016/j.bmc.2009.08.010
BindingDB Entry DOI: 10.7270/Q26110DK
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Mus musculus)		BDBM50304264
PNG
(2-((2S,4S)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-...)
Show SMILES [#6]-c1ccsc1\[#6](=[#6]\[#6]-[#6]-[#7]-1-[#6]-[#6@@H](F)-[#6]-[#6@@H]-1-[#6]-[#6](-[#8])=O)-c1sccc1-[#6] |r|
Show InChI InChI=1S/C20H24FNO2S2/c1-13-5-8-25-19(13)17(20-14(2)6-9-26-20)4-3-7-22-12-15(21)10-16(22)11-18(23)24/h4-6,8-9,15-16H,3,7,10-12H2,1-2H3,(H,23,24)/t15-,16+/m0/s1
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n/an/a 4.94E+3n/an/an/an/an/an/a



Institute of Microbiology

Curated by ChEMBL


Assay Description
Inhibition of GAT1 in mouse D8 cells assessed as [3H]GABA transport by liquid scintillation counting

Bioorg Med Chem 17: 6540-6 (2009)


Article DOI: 10.1016/j.bmc.2009.08.010
BindingDB Entry DOI: 10.7270/Q26110DK
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Mus musculus)		BDBM50304273
PNG
(2-((2S,4S)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-...)
Show SMILES [#6]-c1ccsc1\[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6@@H](-[#8])-[#6]-[#6@H]-1-[#6]-[#6](-[#8])=O)-c1sccc1-[#6] |r|
Show InChI InChI=1S/C20H25NO3S2/c1-13-5-8-25-19(13)17(20-14(2)6-9-26-20)4-3-7-21-12-16(22)10-15(21)11-18(23)24/h4-6,8-9,15-16,22H,3,7,10-12H2,1-2H3,(H,23,24)/t15-,16-/m0/s1
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n/an/a 5.14E+3n/an/an/an/an/an/a



Institute of Microbiology

Curated by ChEMBL


Assay Description
Inhibition of GAT1 in mouse D8 cells assessed as [3H]GABA transport by liquid scintillation counting

Bioorg Med Chem 17: 6540-6 (2009)


Article DOI: 10.1016/j.bmc.2009.08.010
BindingDB Entry DOI: 10.7270/Q26110DK
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Mus musculus)		BDBM50304262
PNG
(2-((2S,4S)-1-(4,4-diphenylbut-3-enyl)-4-fluoropyrr...)
Show SMILES [#8]-[#6](=O)-[#6]-[#6@H]-1-[#6]-[#6@H](F)-[#6]-[#7]-1-[#6]-[#6]\[#6]=[#6](\c1ccccc1)-c1ccccc1 |r|
Show InChI InChI=1S/C22H24FNO2/c23-19-14-20(15-22(25)26)24(16-19)13-7-12-21(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-12,19-20H,7,13-16H2,(H,25,26)/t19-,20+/m0/s1
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n/an/a 5.81E+3n/an/an/an/an/an/a



Institute of Microbiology

Curated by ChEMBL


Assay Description
Inhibition of GAT1 in mouse D8 cells assessed as [3H]GABA transport by liquid scintillation counting

Bioorg Med Chem 17: 6540-6 (2009)


Article DOI: 10.1016/j.bmc.2009.08.010
BindingDB Entry DOI: 10.7270/Q26110DK
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Mus musculus)		BDBM50304276
PNG
((2S,4R)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-eny...)
Show SMILES [#6]-c1ccsc1\[#6](=[#6]\[#6]-[#6]-[#7]-1-[#6]-[#6@H](F)-[#6]-[#6@H]-1-[#6](-[#8])=O)-c1sccc1-[#6] |r|
Show InChI InChI=1S/C19H22FNO2S2/c1-12-5-8-24-17(12)15(18-13(2)6-9-25-18)4-3-7-21-11-14(20)10-16(21)19(22)23/h4-6,8-9,14,16H,3,7,10-11H2,1-2H3,(H,22,23)/t14-,16+/m1/s1
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n/an/a 1.28E+4n/an/an/an/an/an/a



Institute of Microbiology

Curated by ChEMBL


Assay Description
Inhibition of GAT1 in mouse D8 cells assessed as [3H]GABA transport by liquid scintillation counting

Bioorg Med Chem 17: 6540-6 (2009)


Article DOI: 10.1016/j.bmc.2009.08.010
BindingDB Entry DOI: 10.7270/Q26110DK
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Mus musculus)		BDBM50304260
PNG
((2S,4S)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-eny...)
Show SMILES [#6]-c1ccsc1\[#6](=[#6]\[#6]-[#6]-[#7]-1-[#6]-[#6@@H](F)-[#6]-[#6@H]-1-[#6](-[#8])=O)-c1sccc1-[#6] |r|
Show InChI InChI=1S/C19H22FNO2S2/c1-12-5-8-24-17(12)15(18-13(2)6-9-25-18)4-3-7-21-11-14(20)10-16(21)19(22)23/h4-6,8-9,14,16H,3,7,10-11H2,1-2H3,(H,22,23)/t14-,16-/m0/s1
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n/an/a 1.80E+4n/an/an/an/an/an/a



Institute of Microbiology

Curated by ChEMBL


Assay Description
Inhibition of GAT1 in mouse D8 cells assessed as [3H]GABA transport by liquid scintillation counting

Bioorg Med Chem 17: 6540-6 (2009)


Article DOI: 10.1016/j.bmc.2009.08.010
BindingDB Entry DOI: 10.7270/Q26110DK
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(Mus musculus)		BDBM50304268
PNG
((S)-2-(1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl...)
Show SMILES [#6]-c1ccsc1\[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6]-[#6](-[#8])=O)-c1sccc1-[#6] |r|
Show InChI InChI=1S/C20H25NO2S2/c1-14-7-11-24-19(14)17(20-15(2)8-12-25-20)6-4-10-21-9-3-5-16(21)13-18(22)23/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23)/t16-/m0/s1
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n/an/a 2.66E+4n/an/an/an/an/an/a



Institute of Microbiology

Curated by ChEMBL


Assay Description
Inhibition of GAT3 in mouse D8 cells assessed as [3H]GABA transport by liquid scintillation counting

Bioorg Med Chem 17: 6540-6 (2009)


Article DOI: 10.1016/j.bmc.2009.08.010
BindingDB Entry DOI: 10.7270/Q26110DK
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(Mus musculus)		BDBM50304266
PNG
((S)-2-(1-(4,4-diphenylbut-3-enyl)pyrrolidin-2-yl)a...)
Show SMILES [#8]-[#6](=O)-[#6]-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6]=[#6](\c1ccccc1)-c1ccccc1 |r|
Show InChI InChI=1S/C22H25NO2/c24-22(25)17-20-13-7-15-23(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-/m0/s1
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n/an/a 6.48E+4n/an/an/an/an/an/a



Institute of Microbiology

Curated by ChEMBL


Assay Description
Inhibition of GAT3 in mouse D8 cells assessed as [3H]GABA transport by liquid scintillation counting

Bioorg Med Chem 17: 6540-6 (2009)


Article DOI: 10.1016/j.bmc.2009.08.010
BindingDB Entry DOI: 10.7270/Q26110DK
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Mus musculus)		BDBM50304274
PNG
((2S,4R)-1-(4,4-diphenyl-3-butenyl)-4-fluoropyrroli...)
Show SMILES [#8]-[#6](=O)-[#6@@H]-1-[#6]-[#6@@H](F)-[#6]-[#7]-1-[#6]-[#6]\[#6]=[#6](\c1ccccc1)-c1ccccc1 |r|
Show InChI InChI=1S/C21H22FNO2/c22-18-14-20(21(24)25)23(15-18)13-7-12-19(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-12,18,20H,7,13-15H2,(H,24,25)/t18-,20+/m1/s1
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n/an/a 6.74E+4n/an/an/an/an/an/a



Institute of Microbiology

Curated by ChEMBL


Assay Description
Inhibition of GAT1 in mouse D8 cells assessed as [3H]GABA transport by liquid scintillation counting

Bioorg Med Chem 17: 6540-6 (2009)


Article DOI: 10.1016/j.bmc.2009.08.010
BindingDB Entry DOI: 10.7270/Q26110DK
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Mus musculus)		BDBM50304269
PNG
((2S,4R)-1-(4,4-diphenylbut-3-enyl)-4-hydroxypyrrol...)
Show SMILES [#8]-[#6@@H]-1-[#6]-[#6@H](-[#7](-[#6]-[#6]\[#6]=[#6](\c2ccccc2)-c2ccccc2)-[#6]-1)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C21H23NO3/c23-18-14-20(21(24)25)22(15-18)13-7-12-19(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-12,18,20,23H,7,13-15H2,(H,24,25)/t18-,20+/m1/s1
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n/an/a 7.96E+4n/an/an/an/an/an/a



Institute of Microbiology

Curated by ChEMBL


Assay Description
Inhibition of GAT1 in mouse D8 cells assessed as [3H]GABA transport by liquid scintillation counting

Bioorg Med Chem 17: 6540-6 (2009)


Article DOI: 10.1016/j.bmc.2009.08.010
BindingDB Entry DOI: 10.7270/Q26110DK
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(Mus musculus)		BDBM50304269
PNG
((2S,4R)-1-(4,4-diphenylbut-3-enyl)-4-hydroxypyrrol...)
Show SMILES [#8]-[#6@@H]-1-[#6]-[#6@H](-[#7](-[#6]-[#6]\[#6]=[#6](\c2ccccc2)-c2ccccc2)-[#6]-1)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C21H23NO3/c23-18-14-20(21(24)25)22(15-18)13-7-12-19(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-12,18,20,23H,7,13-15H2,(H,24,25)/t18-,20+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Institute of Microbiology

Curated by ChEMBL


Assay Description
Inhibition of GAT3 in mouse D8 cells assessed as [3H]GABA transport by liquid scintillation counting

Bioorg Med Chem 17: 6540-6 (2009)


Article DOI: 10.1016/j.bmc.2009.08.010
BindingDB Entry DOI: 10.7270/Q26110DK
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(Mus musculus)		BDBM50304271
PNG
(2-((2S,4R)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-...)
Show SMILES [#6]-c1ccsc1\[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6@H](-[#8])-[#6]-[#6@H]-1-[#6]-[#6](-[#8])=O)-c1sccc1-[#6] |r|
Show InChI InChI=1S/C20H25NO3S2/c1-13-5-8-25-19(13)17(20-14(2)6-9-26-20)4-3-7-21-12-16(22)10-15(21)11-18(23)24/h4-6,8-9,15-16,22H,3,7,10-12H2,1-2H3,(H,23,24)/t15-,16+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Institute of Microbiology

Curated by ChEMBL


Assay Description
Inhibition of GAT3 in mouse D8 cells assessed as [3H]GABA transport by liquid scintillation counting

Bioorg Med Chem 17: 6540-6 (2009)


Article DOI: 10.1016/j.bmc.2009.08.010
BindingDB Entry DOI: 10.7270/Q26110DK
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(Mus musculus)		BDBM50304270
PNG
(2-((2S,4R)-1-(4,4-diphenylbut-3-enyl)-4-hydroxypyr...)
Show SMILES [#8]-[#6@@H]-1-[#6]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#7](-[#6]-[#6]\[#6]=[#6](\c2ccccc2)-c2ccccc2)-[#6]-1 |r|
Show InChI InChI=1S/C22H25NO3/c24-20-14-19(15-22(25)26)23(16-20)13-7-12-21(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-12,19-20,24H,7,13-16H2,(H,25,26)/t19-,20+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Institute of Microbiology

Curated by ChEMBL


Assay Description
Inhibition of GAT3 in mouse D8 cells assessed as [3H]GABA transport by liquid scintillation counting

Bioorg Med Chem 17: 6540-6 (2009)


Article DOI: 10.1016/j.bmc.2009.08.010
BindingDB Entry DOI: 10.7270/Q26110DK
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Mus musculus)		BDBM50304275
PNG
((2S,4S)-1-(4,4-Diphenyl-but-3-enyl)-4-fluoro-pyrro...)
Show SMILES [#8]-[#6](=O)-[#6@@H]-1-[#6]-[#6@H](F)-[#6]-[#7]-1-[#6]-[#6]\[#6]=[#6](\c1ccccc1)-c1ccccc1 |r|
Show InChI InChI=1S/C21H22FNO2/c22-18-14-20(21(24)25)23(15-18)13-7-12-19(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-12,18,20H,7,13-15H2,(H,24,25)/t18-,20-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Institute of Microbiology

Curated by ChEMBL


Assay Description
Inhibition of GAT1 in mouse D8 cells assessed as [3H]GABA transport by liquid scintillation counting

Bioorg Med Chem 17: 6540-6 (2009)


Article DOI: 10.1016/j.bmc.2009.08.010
BindingDB Entry DOI: 10.7270/Q26110DK
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(Mus musculus)		BDBM50304265
PNG
((S)-1-(4,4-diphenylbut-3-enyl)pyrrolidine-2-carbox...)
Show SMILES [#8]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6]=[#6](\c1ccccc1)-c1ccccc1 |r|
Show InChI InChI=1S/C21H23NO2/c23-21(24)20-14-8-16-22(20)15-7-13-19(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-13,20H,7-8,14-16H2,(H,23,24)/t20-/m0/s1
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n/an/a 3.09E+5n/an/an/an/an/an/a



Institute of Microbiology

Curated by ChEMBL


Assay Description
Inhibition of GAT3 in mouse D8 cells assessed as [3H]GABA transport by liquid scintillation counting

Bioorg Med Chem 17: 6540-6 (2009)


Article DOI: 10.1016/j.bmc.2009.08.010
BindingDB Entry DOI: 10.7270/Q26110DK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%