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PubMed code 10543872

Compile data set for download or QSAR
Found 31 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


(Rattus norvegicus)		BDBM50081889
PNG
(1-[2-(3,3-Diphenyl-propoxy)-ethyl]-1,2,5,6-tetrahy...)
Show SMILES OC(=O)C1=CCCN(CCOCCC(c2ccccc2)c2ccccc2)C1 |t:3|
Show InChI InChI=1S/C23H27NO3/c25-23(26)21-12-7-14-24(18-21)15-17-27-16-13-22(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-6,8-12,22H,7,13-18H2,(H,25,26)
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n/an/a 48n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake in rat synaptosomes

J Med Chem 42: 4281-91 (1999)


BindingDB Entry DOI: 10.7270/Q2X92C0D
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50081891
PNG
((R)-1-[2-(3,3-Diphenyl-propoxy)-ethyl]-piperidine-...)
Show SMILES OC(=O)[C@@H]1CCCN(CCOCCC(c2ccccc2)c2ccccc2)C1
Show InChI InChI=1S/C23H29NO3/c25-23(26)21-12-7-14-24(18-21)15-17-27-16-13-22(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-6,8-11,21-22H,7,12-18H2,(H,25,26)/t21-/m1/s1
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n/an/a 55n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake in rat synaptosomes

J Med Chem 42: 4281-91 (1999)


BindingDB Entry DOI: 10.7270/Q2X92C0D
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50368628
PNG
(ABT-569 | Abbott-70569 | Abbott-70569.1 | Gabitril...)
Show SMILES [#6]-c1ccsc1\[#6](=[#6]\[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1sccc1-[#6]
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 67n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake in rat synaptosomes

J Med Chem 42: 4281-91 (1999)


BindingDB Entry DOI: 10.7270/Q2X92C0D
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50081895
PNG
((R)-1-[3-(3,3-Di-o-tolyl-allyloxy)-propyl]-piperid...)
Show SMILES [#6]-c1ccccc1\[#6](=[#6]\[#6]-[#8]-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1ccccc1-[#6]
Show InChI InChI=1S/C26H33NO3/c1-20-9-3-5-12-23(20)25(24-13-6-4-10-21(24)2)14-18-30-17-8-16-27-15-7-11-22(19-27)26(28)29/h3-6,9-10,12-14,22H,7-8,11,15-19H2,1-2H3,(H,28,29)/t22-/m1/s1
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n/an/a 75n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake in rat synaptosomes

J Med Chem 42: 4281-91 (1999)


BindingDB Entry DOI: 10.7270/Q2X92C0D
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50081892
PNG
((R)-1-[2-(3-Phenyl-3-o-tolyl-propoxy)-ethyl]-piper...)
Show SMILES Cc1ccccc1C(CCOCCN1CCC[C@H](C1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C24H31NO3/c1-19-8-5-6-12-22(19)23(20-9-3-2-4-10-20)13-16-28-17-15-25-14-7-11-21(18-25)24(26)27/h2-6,8-10,12,21,23H,7,11,13-18H2,1H3,(H,26,27)/t21-,23?/m1/s1
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n/an/a 86n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake in rat synaptosomes

J Med Chem 42: 4281-91 (1999)


BindingDB Entry DOI: 10.7270/Q2X92C0D
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50081888
PNG
((R)-1-[2-(2-Diphenylamino-ethoxy)-ethyl]-piperidin...)
Show SMILES OC(=O)[C@@H]1CCCN(CCOCCN(c2ccccc2)c2ccccc2)C1
Show InChI InChI=1S/C22H28N2O3/c25-22(26)19-8-7-13-23(18-19)14-16-27-17-15-24(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-6,9-12,19H,7-8,13-18H2,(H,25,26)/t19-/m1/s1
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n/an/a 90n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake in rat synaptosomes

J Med Chem 42: 4281-91 (1999)


BindingDB Entry DOI: 10.7270/Q2X92C0D
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50080379
PNG
((R)-1-[2-(2,2-Diphenyl-vinyloxy)-ethyl]-piperidine...)
Show SMILES [#8]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#8]\[#6]=[#6](\c2ccccc2)-c2ccccc2)-[#6]-1
Show InChI InChI=1S/C22H25NO3/c24-22(25)20-12-7-13-23(16-20)14-15-26-17-21(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,17,20H,7,12-16H2,(H,24,25)/t20-/m1/s1
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n/an/a 104n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake in rat synaptosomes

J Med Chem 42: 4281-91 (1999)


BindingDB Entry DOI: 10.7270/Q2X92C0D
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50081901
PNG
((R)-1-[2-(3,3-Di-o-tolyl-allyloxy)-ethyl]-piperidi...)
Show SMILES [#6]-c1ccccc1\[#6](=[#6]/[#6]-[#8]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1ccccc1-[#6]
Show InChI InChI=1S/C25H31NO3/c1-19-8-3-5-11-22(19)24(23-12-6-4-9-20(23)2)13-16-29-17-15-26-14-7-10-21(18-26)25(27)28/h3-6,8-9,11-13,21H,7,10,14-18H2,1-2H3,(H,27,28)/t21-/m1/s1
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n/an/a 114n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake in rat synaptosomes

J Med Chem 42: 4281-91 (1999)


BindingDB Entry DOI: 10.7270/Q2X92C0D
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50080346
PNG
((R)-1-(2-Benzhydrylideneaminooxy-ethyl)-piperidine...)
Show SMILES [#8]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#8]\[#7]=[#6](/c2ccccc2)-c2ccccc2)-[#6]-1
Show InChI InChI=1S/C21H24N2O3/c24-21(25)19-12-7-13-23(16-19)14-15-26-22-20(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,19H,7,12-16H2,(H,24,25)/t19-/m1/s1
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n/an/a 137n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake in rat synaptosomes

J Med Chem 42: 4281-91 (1999)


BindingDB Entry DOI: 10.7270/Q2X92C0D
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50081887
PNG
((R)-1-(7-Diphenylamino-heptyl)-piperidine-3-carbox...)
Show SMILES OC(=O)[C@@H]1CCCN(CCCCCCCN(c2ccccc2)c2ccccc2)C1
Show InChI InChI=1S/C25H34N2O2/c28-25(29)22-13-12-19-26(21-22)18-10-2-1-3-11-20-27(23-14-6-4-7-15-23)24-16-8-5-9-17-24/h4-9,14-17,22H,1-3,10-13,18-21H2,(H,28,29)/t22-/m1/s1
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n/an/a 232n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake in rat synaptosomes

J Med Chem 42: 4281-91 (1999)


BindingDB Entry DOI: 10.7270/Q2X92C0D
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50081904
PNG
((R)-1-[2-((E)-3-Phenyl-3-o-tolyl-allyloxy)-ethyl]-...)
Show SMILES Cc1ccccc1\C(=C\COCCN1CCC[C@H](C1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C24H29NO3/c1-19-8-5-6-12-22(19)23(20-9-3-2-4-10-20)13-16-28-17-15-25-14-7-11-21(18-25)24(26)27/h2-6,8-10,12-13,21H,7,11,14-18H2,1H3,(H,26,27)/b23-13+/t21-/m1/s1
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n/an/a 236n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake in rat synaptosomes

J Med Chem 42: 4281-91 (1999)


BindingDB Entry DOI: 10.7270/Q2X92C0D
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50081899
PNG
((R)-1-[2-(3,3-Diphenyl-allyloxy)-ethyl]-piperidine...)
Show SMILES [#8]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#8]-[#6]\[#6]=[#6](\c2ccccc2)-c2ccccc2)-[#6]-1
Show InChI InChI=1S/C23H27NO3/c25-23(26)21-12-7-14-24(18-21)15-17-27-16-13-22(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-6,8-11,13,21H,7,12,14-18H2,(H,25,26)/t21-/m1/s1
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n/an/a 258n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake in rat synaptosomes

J Med Chem 42: 4281-91 (1999)


BindingDB Entry DOI: 10.7270/Q2X92C0D
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50081881
PNG
((R)-1-[4-(2-Diphenylamino-ethoxy)-butyl]-piperidin...)
Show SMILES OC(=O)[C@@H]1CCCN(CCCCOCCN(c2ccccc2)c2ccccc2)C1
Show InChI InChI=1S/C24H32N2O3/c27-24(28)21-10-9-16-25(20-21)15-7-8-18-29-19-17-26(22-11-3-1-4-12-22)23-13-5-2-6-14-23/h1-6,11-14,21H,7-10,15-20H2,(H,27,28)/t21-/m1/s1
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Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake in rat synaptosomes

J Med Chem 42: 4281-91 (1999)


BindingDB Entry DOI: 10.7270/Q2X92C0D
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50047910
PNG
(1-(4,4-Diphenyl-but-3-enyl)-piperidine-3-carboxyli...)
Show SMILES [#8]-[#6](=O)-[#6]-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)
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n/an/a 330n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake in rat synaptosomes

J Med Chem 42: 4281-91 (1999)


BindingDB Entry DOI: 10.7270/Q2X92C0D
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50081882
PNG
((R)-1-[2-(3,3-Di-o-tolyl-propoxy)-ethyl]-piperidin...)
Show SMILES Cc1ccccc1C(CCOCCN1CCC[C@H](C1)C(O)=O)c1ccccc1C
Show InChI InChI=1S/C25H33NO3/c1-19-8-3-5-11-22(19)24(23-12-6-4-9-20(23)2)13-16-29-17-15-26-14-7-10-21(18-26)25(27)28/h3-6,8-9,11-12,21,24H,7,10,13-18H2,1-2H3,(H,27,28)/t21-/m1/s1
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n/an/a 358n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake in rat synaptosomes

J Med Chem 42: 4281-91 (1999)


BindingDB Entry DOI: 10.7270/Q2X92C0D
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50081894
PNG
((R)-1-(6-Diphenylamino-hexyl)-piperidine-3-carboxy...)
Show SMILES OC(=O)[C@@H]1CCCN(CCCCCCN(c2ccccc2)c2ccccc2)C1
Show InChI InChI=1S/C24H32N2O2/c27-24(28)21-12-11-18-25(20-21)17-9-1-2-10-19-26(22-13-5-3-6-14-22)23-15-7-4-8-16-23/h3-8,13-16,21H,1-2,9-12,17-20H2,(H,27,28)/t21-/m1/s1
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n/an/a 659n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake in rat synaptosomes

J Med Chem 42: 4281-91 (1999)


BindingDB Entry DOI: 10.7270/Q2X92C0D
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50081896
PNG
((R)-1-{2-[3-(4-Fluoro-phenyl)-3-(3-fluoro-phenyl)-...)
Show SMILES OC(=O)[C@@H]1CCCN(CCOCCC(c2ccc(F)cc2)c2cccc(F)c2)C1
Show InChI InChI=1S/C23H27F2NO3/c24-20-8-6-17(7-9-20)22(18-3-1-5-21(25)15-18)10-13-29-14-12-26-11-2-4-19(16-26)23(27)28/h1,3,5-9,15,19,22H,2,4,10-14,16H2,(H,27,28)/t19-,22?/m1/s1
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n/an/a 675n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake in rat synaptosomes

J Med Chem 42: 4281-91 (1999)


BindingDB Entry DOI: 10.7270/Q2X92C0D
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50081897
PNG
((R)-1-{2-[3,3-Bis-(4-chloro-phenyl)-allyloxy]-ethy...)
Show SMILES [#8]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#8]-[#6]\[#6]=[#6](/c2ccc(Cl)cc2)-c2ccc(Cl)cc2)-[#6]-1
Show InChI InChI=1S/C23H25Cl2NO3/c24-20-7-3-17(4-8-20)22(18-5-9-21(25)10-6-18)11-14-29-15-13-26-12-1-2-19(16-26)23(27)28/h3-11,19H,1-2,12-16H2,(H,27,28)/t19-/m1/s1
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n/an/a 955n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake in rat synaptosomes

J Med Chem 42: 4281-91 (1999)


BindingDB Entry DOI: 10.7270/Q2X92C0D
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50081880
PNG
((R)-1-(8-Diphenylamino-octyl)-piperidine-3-carboxy...)
Show SMILES OC(=O)[C@@H]1CCCN(CCCCCCCCN(c2ccccc2)c2ccccc2)C1
Show InChI InChI=1S/C26H36N2O2/c29-26(30)23-14-13-20-27(22-23)19-11-3-1-2-4-12-21-28(24-15-7-5-8-16-24)25-17-9-6-10-18-25/h5-10,15-18,23H,1-4,11-14,19-22H2,(H,29,30)/t23-/m1/s1
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n/an/a 1.29E+3n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake in rat synaptosomes

J Med Chem 42: 4281-91 (1999)


BindingDB Entry DOI: 10.7270/Q2X92C0D
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50081879
PNG
((R)-1-(8,8-Diphenyl-oct-7-enyl)-piperidine-3-carbo...)
Show SMILES [#8]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]\[#6]=[#6](\c2ccccc2)-c2ccccc2)-[#6]-1
Show InChI InChI=1S/C26H33NO2/c28-26(29)24-17-12-20-27(21-24)19-11-3-1-2-10-18-25(22-13-6-4-7-14-22)23-15-8-5-9-16-23/h4-9,13-16,18,24H,1-3,10-12,17,19-21H2,(H,28,29)/t24-/m1/s1
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n/an/a 1.36E+3n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake in rat synaptosomes

J Med Chem 42: 4281-91 (1999)


BindingDB Entry DOI: 10.7270/Q2X92C0D
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50081884
PNG
((R)-1-(5-Diphenylamino-pentyl)-piperidine-3-carbox...)
Show SMILES OC(=O)[C@@H]1CCCN(CCCCCN(c2ccccc2)c2ccccc2)C1
Show InChI InChI=1S/C23H30N2O2/c26-23(27)20-11-10-17-24(19-20)16-8-3-9-18-25(21-12-4-1-5-13-21)22-14-6-2-7-15-22/h1-2,4-7,12-15,20H,3,8-11,16-19H2,(H,26,27)/t20-/m1/s1
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n/an/a 1.38E+3n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake in rat synaptosomes

J Med Chem 42: 4281-91 (1999)


BindingDB Entry DOI: 10.7270/Q2X92C0D
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50003653
PNG
(1-(2-Benzhydryloxy-ethyl)-piperidine-3-carboxylic ...)
Show SMILES OC(=O)C1CCCN(CCOC(c2ccccc2)c2ccccc2)C1
Show InChI InChI=1S/C21H25NO3/c23-21(24)19-12-7-13-22(16-19)14-15-25-20(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,19-20H,7,12-16H2,(H,23,24)
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n/an/a 1.41E+3n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake in rat synaptosomes

J Med Chem 42: 4281-91 (1999)


BindingDB Entry DOI: 10.7270/Q2X92C0D
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50081902
PNG
((R)-1-{2-[3,3-Bis-(4-fluoro-phenyl)-allyloxy]-ethy...)
Show SMILES [#8]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#8]-[#6]\[#6]=[#6](/c2ccc(F)cc2)-c2ccc(F)cc2)-[#6]-1
Show InChI InChI=1S/C23H25F2NO3/c24-20-7-3-17(4-8-20)22(18-5-9-21(25)10-6-18)11-14-29-15-13-26-12-1-2-19(16-26)23(27)28/h3-11,19H,1-2,12-16H2,(H,27,28)/t19-/m1/s1
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n/an/a 1.46E+3n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake in rat synaptosomes

J Med Chem 42: 4281-91 (1999)


BindingDB Entry DOI: 10.7270/Q2X92C0D
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50081886
PNG
((R)-1-(6,6-Diphenyl-hexyl)-piperidine-3-carboxylic...)
Show SMILES OC(=O)[C@@H]1CCCN(CCCCCC(c2ccccc2)c2ccccc2)C1
Show InChI InChI=1S/C24H31NO2/c26-24(27)22-15-10-18-25(19-22)17-9-3-8-16-23(20-11-4-1-5-12-20)21-13-6-2-7-14-21/h1-2,4-7,11-14,22-23H,3,8-10,15-19H2,(H,26,27)/t22-/m1/s1
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n/an/a 1.59E+3n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake in rat synaptosomes

J Med Chem 42: 4281-91 (1999)


BindingDB Entry DOI: 10.7270/Q2X92C0D
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50081900
PNG
((R)-1-(6,6-Diphenyl-hex-5-enyl)-piperidine-3-carbo...)
Show SMILES [#8]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#6]\[#6]=[#6](\c2ccccc2)-c2ccccc2)-[#6]-1
Show InChI InChI=1S/C24H29NO2/c26-24(27)22-15-10-18-25(19-22)17-9-3-8-16-23(20-11-4-1-5-12-20)21-13-6-2-7-14-21/h1-2,4-7,11-14,16,22H,3,8-10,15,17-19H2,(H,26,27)/t22-/m1/s1
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n/an/a 2.26E+3n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake in rat synaptosomes

J Med Chem 42: 4281-91 (1999)


BindingDB Entry DOI: 10.7270/Q2X92C0D
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50081883
PNG
((R)-1-(4-Diphenylamino-butyl)-piperidine-3-carboxy...)
Show SMILES OC(=O)[C@@H]1CCCN(CCCCN(c2ccccc2)c2ccccc2)C1
Show InChI InChI=1S/C22H28N2O2/c25-22(26)19-10-9-16-23(18-19)15-7-8-17-24(20-11-3-1-4-12-20)21-13-5-2-6-14-21/h1-6,11-14,19H,7-10,15-18H2,(H,25,26)/t19-/m1/s1
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n/an/a 2.61E+3n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake in rat synaptosomes

J Med Chem 42: 4281-91 (1999)


BindingDB Entry DOI: 10.7270/Q2X92C0D
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50081903
PNG
((R)-1-[3-(3-Diphenylamino-propoxy)-propyl]-piperid...)
Show SMILES OC(=O)[C@@H]1CCCN(CCCOCCCN(c2ccccc2)c2ccccc2)C1
Show InChI InChI=1S/C24H32N2O3/c27-24(28)21-10-7-15-25(20-21)16-8-18-29-19-9-17-26(22-11-3-1-4-12-22)23-13-5-2-6-14-23/h1-6,11-14,21H,7-10,15-20H2,(H,27,28)/t21-/m1/s1
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n/an/a>3.00E+3n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake in rat synaptosomes

J Med Chem 42: 4281-91 (1999)


BindingDB Entry DOI: 10.7270/Q2X92C0D
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50081898
PNG
((R)-1-{2-[(3,3-Diphenyl-propyl)-methyl-amino]-ethy...)
Show SMILES CN(CCC(c1ccccc1)c1ccccc1)CCN1CCC[C@H](C1)C(O)=O
Show InChI InChI=1S/C24H32N2O2/c1-25(17-18-26-15-8-13-22(19-26)24(27)28)16-14-23(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-7,9-12,22-23H,8,13-19H2,1H3,(H,27,28)/t22-/m1/s1
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n/an/a 5.70E+3n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake in rat synaptosomes

J Med Chem 42: 4281-91 (1999)


BindingDB Entry DOI: 10.7270/Q2X92C0D
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50081885
PNG
((R)-1-(3-Diphenylamino-propyl)-piperidine-3-carbox...)
Show SMILES OC(=O)[C@@H]1CCCN(CCCN(c2ccccc2)c2ccccc2)C1
Show InChI InChI=1S/C21H26N2O2/c24-21(25)18-9-7-14-22(17-18)15-8-16-23(19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-6,10-13,18H,7-9,14-17H2,(H,24,25)/t18-/m1/s1
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n/an/a>9.00E+3n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake in rat synaptosomes

J Med Chem 42: 4281-91 (1999)


BindingDB Entry DOI: 10.7270/Q2X92C0D
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50081890
PNG
((R)-1-(7-Diphenylcarbamoyl-heptyl)-piperidine-3-ca...)
Show SMILES OC(=O)[C@@H]1CCCN(CCCCCCCC(=O)N(c2ccccc2)c2ccccc2)C1
Show InChI InChI=1S/C26H34N2O3/c29-25(28(23-14-6-4-7-15-23)24-16-8-5-9-17-24)18-10-2-1-3-11-19-27-20-12-13-22(21-27)26(30)31/h4-9,14-17,22H,1-3,10-13,18-21H2,(H,30,31)/t22-/m1/s1
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n/an/a>9.00E+3n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake in rat synaptosomes

J Med Chem 42: 4281-91 (1999)


BindingDB Entry DOI: 10.7270/Q2X92C0D
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50081893
PNG
((R)-1-{2-[2-(2-Diphenylamino-ethoxy)-ethoxy]-ethyl...)
Show SMILES OC(=O)[C@@H]1CCCN(CCOCCOCCN(c2ccccc2)c2ccccc2)C1
Show InChI InChI=1S/C24H32N2O4/c27-24(28)21-8-7-13-25(20-21)14-16-29-18-19-30-17-15-26(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-6,9-12,21H,7-8,13-20H2,(H,27,28)/t21-/m1/s1
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n/an/a>9.00E+3n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake in rat synaptosomes

J Med Chem 42: 4281-91 (1999)


BindingDB Entry DOI: 10.7270/Q2X92C0D
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%