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Compile Data Set for Download or QSAR

Found 37 hits Enz. Inhib. hit(s) with Target = 'Betaine transporter'   
Target
(Institution)
LigandTarget
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
Betaine transporter


(Homo sapiens)
BDBM50101329
PNG
(CHEMBL3326391)
Show SMILES N[C@]12C[C@H]1[C@H](CC2)C(O)=O
Show InChI InChI=1/C7H11NO2/c8-7-2-1-4(6(9)10)5(7)3-7/h4-5H,1-3,8H2,(H,9,10)/t4-,5-,7+/s2
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n/an/a 590n/an/an/an/an/an/a



Faculty of Pharmaceutical Sciences, Hokkaido University , Kita-12, Nishi-6, Kita-ku, Sapporo 060-0812, Japan.

Curated by ChEMBL


Assay Description
Inhibition of human BGT1 transfected in CHO cells assessed as [3H]GABA uptake after 20 mins by liquid scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
Betaine transporter


(Homo sapiens)
BDBM50419338
PNG
(CHEMBL1446457)
Show SMILES COc1ccccc1C1(O)CCN(CCCn2c3ccccc3c3ccccc23)CC1
Show InChI InChI=1S/C27H30N2O2/c1-31-26-14-7-4-11-23(26)27(30)15-19-28(20-16-27)17-8-18-29-24-12-5-2-9-21(24)22-10-3-6-13-25(22)29/h2-7,9-14,30H,8,15-20H2,1H3
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n/an/a 5.10E+3n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of human BGT1 transfected in CHO cells assessed as [3H]GABA uptake after 20 mins by liquid scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
Betaine transporter


(Homo sapiens)
BDBM50419338
PNG
(CHEMBL1446457)
Show SMILES COc1ccccc1C1(O)CCN(CCCn2c3ccccc3c3ccccc23)CC1
Show InChI InChI=1S/C27H30N2O2/c1-31-26-14-7-4-11-23(26)27(30)15-19-28(20-16-27)17-8-18-29-24-12-5-2-9-21(24)22-10-3-6-13-25(22)29/h2-7,9-14,30H,8,15-20H2,1H3
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n/an/a 5.10E+3n/an/an/an/an/an/a



Faculty of Pharmaceutical Sciences, Hokkaido University , Kita-12, Nishi-6, Kita-ku, Sapporo 060-0812, Japan.

Curated by ChEMBL


Assay Description
Inhibition of human BGT1 transfected in CHO cells assessed as [3H]GABA uptake after 20 mins by liquid scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
Betaine transporter


(Homo sapiens)
BDBM50101328
PNG
(CHEMBL3040189)
Show SMILES N[C@H]1C[C@H]1CC(O)=O
Show InChI InChI=1/C5H9NO2/c6-4-1-3(4)2-5(7)8/h3-4H,1-2,6H2,(H,7,8)/t3-,4-/s2
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n/an/a 5.48E+3n/an/an/an/an/an/a



Faculty of Pharmaceutical Sciences, Hokkaido University , Kita-12, Nishi-6, Kita-ku, Sapporo 060-0812, Japan.

Curated by ChEMBL


Assay Description
Inhibition of human BGT1 transfected in CHO cells assessed as [3H]GABA uptake after 20 mins by liquid scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
Betaine transporter


(Homo sapiens)
BDBM50438758
PNG
(CHEMBL2415009)
Show SMILES N[C@@H]1C[C@H]1CC(O)=O
Show InChI InChI=1S/C5H9NO2/c6-4-1-3(4)2-5(7)8/h3-4H,1-2,6H2,(H,7,8)/t3-,4+/m0/s1
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n/an/a 5.48E+3n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of human BGT1 transfected in CHO cells assessed as [3H]GABA uptake after 20 mins by liquid scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
Betaine transporter


(Homo sapiens)
BDBM24183
PNG
(4-amino-n-[2,3-3H]butyric acid | 4-aminobutanoic a...)
Show SMILES NCCCC(O)=O
Show InChI InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
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n/an/a 3.60E+4n/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)

More data for this
Ligand-Target Pair
Betaine transporter


(Homo sapiens)
BDBM50039245
PNG
(CHEMBL309357 | Dimethyl-[2-(1,7,7-trimethyl-2-phen...)
Show SMILES CN(C)CCOC1(CC2CCC1(C)C2(C)C)c1ccccc1
Show InChI InChI=1S/C20H31NO/c1-18(2)17-11-12-19(18,3)20(15-17,22-14-13-21(4)5)16-9-7-6-8-10-16/h6-10,17H,11-15H2,1-5H3
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n/an/a 3.90E+4n/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)

More data for this
Ligand-Target Pair
Betaine transporter


(Homo sapiens)
BDBM50039246
PNG
((S)-1-(2-(tris(4-methoxyphenyl)methoxy)ethyl)piper...)
Show SMILES COc1ccc(cc1)C(OCCN1CCC[C@@H](C1)C(O)=O)(c1ccc(OC)cc1)c1ccc(OC)cc1
Show InChI InChI=1S/C30H35NO6/c1-34-26-12-6-23(7-13-26)30(24-8-14-27(35-2)15-9-24,25-10-16-28(36-3)17-11-25)37-20-19-31-18-4-5-22(21-31)29(32)33/h6-17,22H,4-5,18-21H2,1-3H3,(H,32,33)/t22-/m0/s1
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n/an/a 7.17E+4n/an/an/an/an/an/a



Faculty of Pharmaceutical Sciences, Hokkaido University , Kita-12, Nishi-6, Kita-ku, Sapporo 060-0812, Japan.

Curated by ChEMBL


Assay Description
Inhibition of human BGT1 transfected in CHO cells assessed as [3H]GABA uptake after 20 mins by liquid scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
Betaine transporter


(Homo sapiens)
BDBM50039246
PNG
((S)-1-(2-(tris(4-methoxyphenyl)methoxy)ethyl)piper...)
Show SMILES COc1ccc(cc1)C(OCCN1CCC[C@@H](C1)C(O)=O)(c1ccc(OC)cc1)c1ccc(OC)cc1
Show InChI InChI=1S/C30H35NO6/c1-34-26-12-6-23(7-13-26)30(24-8-14-27(35-2)15-9-24,25-10-16-28(36-3)17-11-25)37-20-19-31-18-4-5-22(21-31)29(32)33/h6-17,22H,4-5,18-21H2,1-3H3,(H,32,33)/t22-/m0/s1
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n/an/a 7.17E+4n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of human BGT1 transfected in CHO cells assessed as [3H]GABA uptake after 20 mins by liquid scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
Betaine transporter


(Homo sapiens)
BDBM50039242
PNG
(1-{2-[Bis-(4-chloro-phenyl)-(4-methoxy-phenyl)-met...)
Show SMILES COc1ccc(cc1)C(OCCN1CCCC(C1)C(O)=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H29Cl2NO4/c1-34-26-14-8-23(9-15-26)28(21-4-10-24(29)11-5-21,22-6-12-25(30)13-7-22)35-18-17-31-16-2-3-20(19-31)27(32)33/h4-15,20H,2-3,16-19H2,1H3,(H,32,33)
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n/an/a 8.80E+4n/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)

More data for this
Ligand-Target Pair
Betaine transporter


(Homo sapiens)
BDBM50334247
PNG
((R,E)-1-(4-(2-fluorophenyl)-4-o-tolylbut-3-enyl)pi...)
Show SMILES Cc1ccccc1\C(=C/CCN1CCC[C@H](C1)C(O)=O)c1ccccc1F
Show InChI InChI=1S/C23H26FNO2/c1-17-8-2-3-10-19(17)20(21-11-4-5-13-22(21)24)12-7-15-25-14-6-9-18(16-25)23(26)27/h2-5,8,10-13,18H,6-7,9,14-16H2,1H3,(H,26,27)/b20-12+/t18-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of BGT1


Citation and Details
More data for this
Ligand-Target Pair
Betaine transporter


(Homo sapiens)
BDBM50039235
PNG
(1-{2-[(4-Methoxy-phenyl)-di-p-tolyl-methoxy]-ethyl...)
Show SMILES COc1ccc(cc1)C(OCCN1CCCC(C1)C(O)=O)(c1ccc(C)cc1)c1ccc(C)cc1
Show InChI InChI=1S/C30H35NO4/c1-22-6-10-25(11-7-22)30(26-12-8-23(2)9-13-26,27-14-16-28(34-3)17-15-27)35-20-19-31-18-4-5-24(21-31)29(32)33/h6-17,24H,4-5,18-21H2,1-3H3,(H,32,33)
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n/an/a 1.09E+5n/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)

More data for this
Ligand-Target Pair
Betaine transporter


(Homo sapiens)
BDBM50039246
PNG
((S)-1-(2-(tris(4-methoxyphenyl)methoxy)ethyl)piper...)
Show SMILES COc1ccc(cc1)C(OCCN1CCC[C@@H](C1)C(O)=O)(c1ccc(OC)cc1)c1ccc(OC)cc1
Show InChI InChI=1S/C30H35NO6/c1-34-26-12-6-23(7-13-26)30(24-8-14-27(35-2)15-9-24,25-10-16-28(36-3)17-11-25)37-20-19-31-18-4-5-22(21-31)29(32)33/h6-17,22H,4-5,18-21H2,1-3H3,(H,32,33)/t22-/m0/s1
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n/an/a 1.40E+5n/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)

More data for this
Ligand-Target Pair
Betaine transporter


(Homo sapiens)
BDBM50039246
PNG
((S)-1-(2-(tris(4-methoxyphenyl)methoxy)ethyl)piper...)
Show SMILES COc1ccc(cc1)C(OCCN1CCC[C@@H](C1)C(O)=O)(c1ccc(OC)cc1)c1ccc(OC)cc1
Show InChI InChI=1S/C30H35NO6/c1-34-26-12-6-23(7-13-26)30(24-8-14-27(35-2)15-9-24,25-10-16-28(36-3)17-11-25)37-20-19-31-18-4-5-22(21-31)29(32)33/h6-17,22H,4-5,18-21H2,1-3H3,(H,32,33)/t22-/m0/s1
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n/an/a 1.41E+5n/an/an/an/an/an/a



Ludwig-Maximilians-University Munich

Curated by ChEMBL


Assay Description
Inhibition of human BGT1 assessed as [3H]GABA uptake


Citation and Details
More data for this
Ligand-Target Pair
Betaine transporter


(Homo sapiens)
BDBM50039238
PNG
(1-{2-[Bis-(4-fluoro-phenyl)-(4-methoxy-phenyl)-met...)
Show SMILES COc1ccc(cc1)C(OCCN1CCCC(C1)C(O)=O)(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C28H29F2NO4/c1-34-26-14-8-23(9-15-26)28(21-4-10-24(29)11-5-21,22-6-12-25(30)13-7-22)35-18-17-31-16-2-3-20(19-31)27(32)33/h4-15,20H,2-3,16-19H2,1H3,(H,32,33)
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n/an/a 1.51E+5n/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)

More data for this
Ligand-Target Pair
Betaine transporter


(Homo sapiens)
BDBM50039241
PNG
(1-{2-[(4-Methoxy-3-trifluoromethyl-phenyl)-phenyl-...)
Show SMILES COc1ccc(cc1C(F)(F)F)C(OCCN1CCCC(C1)C(O)=O)(c1ccccc1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C30H29F6NO4/c1-40-26-13-12-23(18-25(26)30(34,35)36)28(21-8-3-2-4-9-21,22-10-5-11-24(17-22)29(31,32)33)41-16-15-37-14-6-7-20(19-37)27(38)39/h2-5,8-13,17-18,20H,6-7,14-16,19H2,1H3,(H,38,39)
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n/an/a 2.01E+5n/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)

More data for this
Ligand-Target Pair
Betaine transporter


(Homo sapiens)
BDBM50039234
PNG
(1-{2-[Tris-(4-methoxy-phenyl)-methoxy]-ethyl}-pipe...)
Show SMILES COc1ccc(cc1)C(OCCN1CCCC(C1)C(O)=O)(c1ccc(OC)cc1)c1ccc(OC)cc1
Show InChI InChI=1S/C30H35NO6/c1-34-26-12-6-23(7-13-26)30(24-8-14-27(35-2)15-9-24,25-10-16-28(36-3)17-11-25)37-20-19-31-18-4-5-22(21-31)29(32)33/h6-17,22H,4-5,18-21H2,1-3H3,(H,32,33)
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n/an/a 2.08E+5n/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)

More data for this
Ligand-Target Pair
Betaine transporter


(Homo sapiens)
BDBM50003618
PNG
(1-{2-[Bis-(4-trifluoromethyl-phenyl)-methoxy]-ethy...)
Show SMILES OC(=O)C1=CCCN(CCOC(c2ccc(cc2)C(F)(F)F)c2ccc(cc2)C(F)(F)F)C1
Show InChI InChI=1S/C23H21F6NO3/c24-22(25,26)18-7-3-15(4-8-18)20(16-5-9-19(10-6-16)23(27,28)29)33-13-12-30-11-1-2-17(14-30)21(31)32/h2-10,20H,1,11-14H2,(H,31,32)
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n/an/a 3.00E+5n/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)

More data for this
Ligand-Target Pair
Betaine transporter


(Homo sapiens)
BDBM50403563
PNG
(CHEMBL2093977)
Show SMILES OC(=O)[C@H]1CCC2CC(CCN2C1)=C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H25NO2/c25-23(26)20-11-12-21-15-19(13-14-24(21)16-20)22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,20-21H,11-16H2,(H,25,26)/t20-,21?/m0/s1
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n/an/a 3.35E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its ability to inhibit uptake of [3H]- GABA by cloned human BGT-1 transporter


Citation and Details
More data for this
Ligand-Target Pair
Betaine transporter


(Homo sapiens)
BDBM50039240
PNG
(1-{2-[Bis-(4-methoxy-phenyl)-phenyl-methoxy]-ethyl...)
Show SMILES COc1ccc(cc1)C(OCCN1CCCC(C1)C(O)=O)(c1ccccc1)c1ccc(OC)cc1
Show InChI InChI=1S/C29H33NO5/c1-33-26-14-10-24(11-15-26)29(23-8-4-3-5-9-23,25-12-16-27(34-2)17-13-25)35-20-19-30-18-6-7-22(21-30)28(31)32/h3-5,8-17,22H,6-7,18-21H2,1-2H3,(H,31,32)
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n/an/a 3.82E+5n/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)

More data for this
Ligand-Target Pair
Betaine transporter


(Homo sapiens)
BDBM50039244
PNG
(1-(2-Tritylsulfanyl-ethyl)-piperidine-3-carboxylic...)
Show SMILES OC(=O)C1CCCN(CCSC(c2ccccc2)(c2ccccc2)c2ccccc2)C1
Show InChI InChI=1S/C27H29NO2S/c29-26(30)22-11-10-18-28(21-22)19-20-31-27(23-12-4-1-5-13-23,24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-9,12-17,22H,10-11,18-21H2,(H,29,30)
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n/an/a 4.35E+5n/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)

More data for this
Ligand-Target Pair
Betaine transporter


(Homo sapiens)
BDBM50403564
PNG
(CHEMBL2094024)
Show SMILES OC(=O)[C@@H]1CCC2CC(CCN2C1)=C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H25NO2/c25-23(26)20-11-12-21-15-19(13-14-24(21)16-20)22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,20-21H,11-16H2,(H,25,26)/t20-,21?/m1/s1
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n/an/a 4.36E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its ability to inhibit uptake of [3H]- GABA by cloned human BGT-1 transporter


Citation and Details
More data for this
Ligand-Target Pair
Betaine transporter


(Homo sapiens)
BDBM50039248
PNG
((R)-1-{2-[Tris-(4-methoxy-phenyl)-methoxy]-ethyl}-...)
Show SMILES COc1ccc(cc1)C(OCCN1CCC[C@H](C1)C(O)=O)(c1ccc(OC)cc1)c1ccc(OC)cc1
Show InChI InChI=1S/C30H35NO6/c1-34-26-12-6-23(7-13-26)30(24-8-14-27(35-2)15-9-24,25-10-16-28(36-3)17-11-25)37-20-19-31-18-4-5-22(21-31)29(32)33/h6-17,22H,4-5,18-21H2,1-3H3,(H,32,33)/t22-/m1/s1
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n/an/a 6.30E+5n/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)

More data for this
Ligand-Target Pair
Betaine transporter


(Homo sapiens)
BDBM50039249
PNG
(1-{2-[(4-Methoxy-phenyl)-diphenyl-methoxy]-ethyl}-...)
Show SMILES COc1ccc(cc1)C(OCCN1CCCC(C1)C(O)=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H31NO4/c1-32-26-16-14-25(15-17-26)28(23-10-4-2-5-11-23,24-12-6-3-7-13-24)33-20-19-29-18-8-9-22(21-29)27(30)31/h2-7,10-17,22H,8-9,18-21H2,1H3,(H,30,31)
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n/an/a 6.55E+5n/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)

More data for this
Ligand-Target Pair
Betaine transporter


(Homo sapiens)
BDBM50403566
PNG
(CHEMBL2094022)
Show SMILES OC(=O)[C@H]1CCC2C[C@@H](CCN2C1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H27NO2/c25-23(26)20-11-12-21-15-19(13-14-24(21)16-20)22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19-22H,11-16H2,(H,25,26)/t19-,20+,21?/m1/s1
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n/an/a 8.09E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its ability to inhibit uptake of [3H]- GABA by cloned human BGT-1 transporter


Citation and Details
More data for this
Ligand-Target Pair
Betaine transporter


(Homo sapiens)
BDBM50039243
PNG
(1-[2-(9-Phenyl-9H-xanthen-9-yloxy)-ethyl]-piperidi...)
Show SMILES OC(=O)C1CCCN(CCOC2(c3ccccc3)c3ccccc3Oc3ccccc23)C1
Show InChI InChI=1S/C27H27NO4/c29-26(30)20-9-8-16-28(19-20)17-18-31-27(21-10-2-1-3-11-21)22-12-4-6-14-24(22)32-25-15-7-5-13-23(25)27/h1-7,10-15,20H,8-9,16-19H2,(H,29,30)
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n/an/a 9.20E+5n/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)

More data for this
Ligand-Target Pair
Betaine transporter


(Homo sapiens)
BDBM50039253
PNG
(1-{2-[Tris-(4-fluoro-phenyl)-methoxy]-ethyl}-piper...)
Show SMILES OC(=O)C1CCCN(CCOC(c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)C1
Show InChI InChI=1S/C27H26F3NO3/c28-23-9-3-20(4-10-23)27(21-5-11-24(29)12-6-21,22-7-13-25(30)14-8-22)34-17-16-31-15-1-2-19(18-31)26(32)33/h3-14,19H,1-2,15-18H2,(H,32,33)
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n/an/a 1.27E+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)

More data for this
Ligand-Target Pair
Betaine transporter


(Homo sapiens)
BDBM50039251
PNG
((R)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl)pi...)
Show SMILES Cc1ccsc1C(=CCCN1CCC[C@H](C1)C(O)=O)c1sccc1C
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 1.67E+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)

More data for this
Ligand-Target Pair
Betaine transporter


(Homo sapiens)
BDBM90787
PNG
(1,2,3,6-tetrahydropyridine-5-carboxylic acid;hydro...)
Show SMILES OC(=O)C1=CCCNC1
Show InChI InChI=1S/C6H9NO2/c8-6(9)5-2-1-3-7-4-5/h2,7H,1,3-4H2,(H,8,9)
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n/an/a 1.87E+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)

More data for this
Ligand-Target Pair
Betaine transporter


(Homo sapiens)
BDBM50020883
PNG
((R)-Piperidine-3-carboxylic acid | (R)-nipecotic a...)
Show SMILES OC(=O)[C@@H]1CCCNC1
Show InChI InChI=1S/C6H11NO2/c8-6(9)5-2-1-3-7-4-5/h5,7H,1-4H2,(H,8,9)/t5-/m1/s1
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n/an/a 2.31E+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)

More data for this
Ligand-Target Pair
Betaine transporter


(Homo sapiens)
BDBM50003624
PNG
((RS)-nipecotic acid | CHEMBL277498 | Nipecotic | P...)
Show SMILES OC(=O)C1CCCNC1
Show InChI InChI=1S/C6H11NO2/c8-6(9)5-2-1-3-7-4-5/h5,7H,1-4H2,(H,8,9)
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n/an/a 2.37E+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)

More data for this
Ligand-Target Pair
Betaine transporter


(Homo sapiens)
BDBM50039247
PNG
(1-{2-[Tris-(4-methoxy-phenyl)-methoxy]-ethyl}-1,2,...)
Show SMILES COc1ccc(cc1)C(OCCN1CCC=C(C1)C(O)=O)(c1ccc(OC)cc1)c1ccc(OC)cc1
Show InChI InChI=1S/C30H33NO6/c1-34-26-12-6-23(7-13-26)30(24-8-14-27(35-2)15-9-24,25-10-16-28(36-3)17-11-25)37-20-19-31-18-4-5-22(21-31)29(32)33/h5-17H,4,18-21H2,1-3H3,(H,32,33)
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n/an/a 2.66E+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)

More data for this
Ligand-Target Pair
Betaine transporter


(Homo sapiens)
BDBM50403565
PNG
(CHEMBL2093978)
Show SMILES OC(=O)[C@@H]1CCC2C[C@@H](CCN2C1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H27NO2/c25-23(26)20-11-12-21-15-19(13-14-24(21)16-20)22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19-22H,11-16H2,(H,25,26)/t19-,20-,21?/m1/s1
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n/an/a 2.90E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its ability to inhibit uptake of [3H]- GABA by cloned human BGT-1 transporter


Citation and Details
More data for this
Ligand-Target Pair
Betaine transporter


(Homo sapiens)
BDBM50020888
PNG
((S)-Piperidine-3-carboxylic acid | (S)-nipecotic a...)
Show SMILES OC(=O)[C@H]1CCCNC1
Show InChI InChI=1S/C6H11NO2/c8-6(9)5-2-1-3-7-4-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1
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n/an/a 6.41E+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)

More data for this
Ligand-Target Pair
Betaine transporter


(Homo sapiens)
BDBM50003634
PNG
(1-(4,4-Diphenyl-but-3-enyl)-piperidine-3-carboxyli...)
Show SMILES OC(=O)C1CCCN(CCC=C(c2ccccc2)c2ccccc2)C1
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 7.21E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its ability to inhibit uptake of [3H]- GABA by cloned human BGT-1 transporter


Citation and Details
More data for this
Ligand-Target Pair
Betaine transporter


(Homo sapiens)
BDBM50020891
PNG
((R)-1-(4,4-Diphenyl-but-3-enyl)-piperidine-3-carbo...)
Show SMILES OC(=O)[C@@H]1CCCN(CCC=C(c2ccccc2)c2ccccc2)C1
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)

More data for this
Ligand-Target Pair
Betaine transporter


(Homo sapiens)
BDBM50320523
PNG
(1-(3-(9H-carbazol-9-yl)propyl)-4-(4-methoxyphenyl)...)
Show SMILES COc1ccc(cc1)C1(O)CCN(CCCn2c3ccccc3c3ccccc23)CC1
Show InChI InChI=1S/C27H30N2O2/c1-31-22-13-11-21(12-14-22)27(30)15-19-28(20-16-27)17-6-18-29-25-9-4-2-7-23(25)24-8-3-5-10-26(24)29/h2-5,7-14,30H,6,15-20H2,1H3
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1.60E+3n/an/an/an/an/an/an/an/a



Zentrum f£r Pharmaforschung

Curated by ChEMBL


Assay Description
Binding affinity to BGT-1


Citation and Details
More data for this
Ligand-Target Pair