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Compile Data Set for Download or QSAR

Found 45 hits of ic50 for UniProtKB: P48056   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sodium- and chloride-dependent betaine transporter


(Rattus norvegicus)
BDBM50473314
PNG
(CHEMBL553068)
Show SMILES Cl.OC(=O)CC1CCN(CCOCCN2c3ccccc3CCc3ccccc23)C1
Show InChI InChI=1S/C24H30N2O3.ClH/c27-24(28)17-19-11-12-25(18-19)13-15-29-16-14-26-22-7-3-1-5-20(22)9-10-21-6-2-4-8-23(21)26;/h1-8,19H,9-18H2,(H,27,28);1H
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n/an/a 51n/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 was determined


J Med Chem 44: 2152-63 (2001)


Article DOI: 10.1021/jm990513k
BindingDB Entry DOI: 10.7270/Q2RB77BX
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter


(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 was determined


J Med Chem 44: 2152-63 (2001)


Article DOI: 10.1021/jm990513k
BindingDB Entry DOI: 10.7270/Q2RB77BX
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter


(Rattus norvegicus)
BDBM50473316
PNG
(CHEMBL545694)
Show SMILES Cl.OC(=O)[C@@H]1CCCN(CCOCCN2c3cc(Cl)ccc3CCc3ccc(Cl)cc23)C1 |r|
Show InChI InChI=1S/C24H28Cl2N2O3.ClH/c25-20-7-5-17-3-4-18-6-8-21(26)15-23(18)28(22(17)14-20)11-13-31-12-10-27-9-1-2-19(16-27)24(29)30;/h5-8,14-15,19H,1-4,9-13,16H2,(H,29,30);1H/t19-;/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 was determined


J Med Chem 44: 2152-63 (2001)


Article DOI: 10.1021/jm990513k
BindingDB Entry DOI: 10.7270/Q2RB77BX
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter


(Rattus norvegicus)
BDBM50473312
PNG
(CHEMBL543108)
Show SMILES Cl.OC(=O)[C@@H]1CCCN(CCOCCN2c3ccccc3CCc3ccc(Cl)cc23)C1 |r|
Show InChI InChI=1S/C24H29ClN2O3.ClH/c25-21-10-9-19-8-7-18-4-1-2-6-22(18)27(23(19)16-21)13-15-30-14-12-26-11-3-5-20(17-26)24(28)29;/h1-2,4,6,9-10,16,20H,3,5,7-8,11-15,17H2,(H,28,29);1H/t20-;/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 was determined


J Med Chem 44: 2152-63 (2001)


Article DOI: 10.1021/jm990513k
BindingDB Entry DOI: 10.7270/Q2RB77BX
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter


(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 82n/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 was determined


J Med Chem 44: 2152-63 (2001)


Article DOI: 10.1021/jm990513k
BindingDB Entry DOI: 10.7270/Q2RB77BX
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter


(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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Novo Nordisk A/S

Curated by ChEMBL


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


J Med Chem 44: 2152-63 (2001)


Article DOI: 10.1021/jm990513k
BindingDB Entry DOI: 10.7270/Q2RB77BX
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter


(Rattus norvegicus)
BDBM50473321
PNG
(CHEMBL563076)
Show SMILES Cl.OC(=O)[C@@H]1CCCN(CCOCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)C1 |r|
Show InChI InChI=1S/C23H25F3N2O3S.ClH/c24-23(25,26)17-7-8-21-19(14-17)28(18-5-1-2-6-20(18)32-21)11-13-31-12-10-27-9-3-4-16(15-27)22(29)30;/h1-2,5-8,14,16H,3-4,9-13,15H2,(H,29,30);1H/t16-;/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 was determined


J Med Chem 44: 2152-63 (2001)


Article DOI: 10.1021/jm990513k
BindingDB Entry DOI: 10.7270/Q2RB77BX
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter


(Rattus norvegicus)
BDBM50437146
PNG
(CHEMBL1189315)
Show SMILES OC(=O)[C@@H]1CCCN(CCOCCN2c3ccccc3CCc3ccccc23)C1 |r|
Show InChI InChI=1S/C24H30N2O3/c27-24(28)21-8-5-13-25(18-21)14-16-29-17-15-26-22-9-3-1-6-19(22)11-12-20-7-2-4-10-23(20)26/h1-4,6-7,9-10,21H,5,8,11-18H2,(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 was determined


J Med Chem 44: 2152-63 (2001)


Article DOI: 10.1021/jm990513k
BindingDB Entry DOI: 10.7270/Q2RB77BX
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter


(Rattus norvegicus)
BDBM50473306
PNG
(CHEMBL556178)
Show SMILES Cl.OC(=O)[C@@H]1CCCN(CCOCCN2c3ccc(F)cc3CCc3cc(F)ccc23)C1 |r|
Show InChI InChI=1S/C24H28F2N2O3.ClH/c25-20-5-7-22-17(14-20)3-4-18-15-21(26)6-8-23(18)28(22)11-13-31-12-10-27-9-1-2-19(16-27)24(29)30;/h5-8,14-15,19H,1-4,9-13,16H2,(H,29,30);1H/t19-;/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 was determined


J Med Chem 44: 2152-63 (2001)


Article DOI: 10.1021/jm990513k
BindingDB Entry DOI: 10.7270/Q2RB77BX
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter


(Rattus norvegicus)
BDBM50473319
PNG
(CHEMBL555856)
Show SMILES Cl.OC(=O)[C@@H]1CCCN(CCOCCN2c3ccccc3CCc3ccc(F)cc23)C1 |r|
Show InChI InChI=1S/C24H29FN2O3.ClH/c25-21-10-9-19-8-7-18-4-1-2-6-22(18)27(23(19)16-21)13-15-30-14-12-26-11-3-5-20(17-26)24(28)29;/h1-2,4,6,9-10,16,20H,3,5,7-8,11-15,17H2,(H,28,29);1H/t20-;/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 was determined


J Med Chem 44: 2152-63 (2001)


Article DOI: 10.1021/jm990513k
BindingDB Entry DOI: 10.7270/Q2RB77BX
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter


(Rattus norvegicus)
BDBM50437144
PNG
(CHEMBL1190271)
Show SMILES OC(=O)[C@@H]1CCCN(CCOCCN2c3ccccc3Sc3ccccc23)C1 |r|
Show InChI InChI=1S/C22H26N2O3S/c25-22(26)17-6-5-11-23(16-17)12-14-27-15-13-24-18-7-1-3-9-20(18)28-21-10-4-2-8-19(21)24/h1-4,7-10,17H,5-6,11-16H2,(H,25,26)/t17-/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 was determined


J Med Chem 44: 2152-63 (2001)


Article DOI: 10.1021/jm990513k
BindingDB Entry DOI: 10.7270/Q2RB77BX
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter


(Rattus norvegicus)
BDBM50003634
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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Novo Nordisk A/S

Curated by ChEMBL


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


J Med Chem 44: 2152-63 (2001)


Article DOI: 10.1021/jm990513k
BindingDB Entry DOI: 10.7270/Q2RB77BX
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter


(Rattus norvegicus)
BDBM50473315
PNG
(CHEMBL541561)
Show SMILES Cl.[#8]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#8]-[#6]\[#6]=[#6]-2\c3ccccc3-[#6]-[#6]-c3ccccc-23)-[#6]-1 |r|
Show InChI InChI=1S/C26H31NO3.ClH/c28-26(29)22-9-5-15-27(19-22)16-6-17-30-18-14-25-23-10-3-1-7-20(23)12-13-21-8-2-4-11-24(21)25;/h1-4,7-8,10-11,14,22H,5-6,9,12-13,15-19H2,(H,28,29);1H/t22-;/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 was determined


J Med Chem 44: 2152-63 (2001)


Article DOI: 10.1021/jm990513k
BindingDB Entry DOI: 10.7270/Q2RB77BX
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter


(Rattus norvegicus)
BDBM50473313
PNG
(CHEMBL545690)
Show SMILES Cl.OC(=O)[C@H]1CCCN(CCOCCC2c3ccccc3CCc3ccccc23)C1 |r|
Show InChI InChI=1S/C25H31NO3.ClH/c27-25(28)21-8-5-14-26(18-21)15-17-29-16-13-24-22-9-3-1-6-19(22)11-12-20-7-2-4-10-23(20)24;/h1-4,6-7,9-10,21,24H,5,8,11-18H2,(H,27,28);1H/t21-;/m0./s1
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Novo Nordisk A/S

Curated by ChEMBL


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


J Med Chem 44: 2152-63 (2001)


Article DOI: 10.1021/jm990513k
BindingDB Entry DOI: 10.7270/Q2RB77BX
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter


(Rattus norvegicus)
BDBM50473311
PNG
(CHEMBL543342)
Show SMILES Cl.OC(=O)C1=CCCN(CCOCCN2c3ccccc3CCc3ccccc23)C1 |t:3|
Show InChI InChI=1S/C24H28N2O3/c27-24(28)21-8-5-13-25(18-21)14-16-29-17-15-26-22-9-3-1-6-19(22)11-12-20-7-2-4-10-23(20)26/h1-4,6-10H,5,11-18H2,(H,27,28)
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Novo Nordisk A/S

Curated by ChEMBL


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


J Med Chem 44: 2152-63 (2001)


Article DOI: 10.1021/jm990513k
BindingDB Entry DOI: 10.7270/Q2RB77BX
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter


(Rattus norvegicus)
BDBM50437145
PNG
(CHEMBL1196076)
Show SMILES OC(=O)[C@@H]1CCCN(CCOCCN2c3ccccc3C=Cc3ccccc23)C1 |r,c:21|
Show InChI InChI=1S/C24H28N2O3/c27-24(28)21-8-5-13-25(18-21)14-16-29-17-15-26-22-9-3-1-6-19(22)11-12-20-7-2-4-10-23(20)26/h1-4,6-7,9-12,21H,5,8,13-18H2,(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 was determined


J Med Chem 44: 2152-63 (2001)


Article DOI: 10.1021/jm990513k
BindingDB Entry DOI: 10.7270/Q2RB77BX
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter


(Rattus norvegicus)
BDBM50473317
PNG
(CHEMBL553053)
Show SMILES Cl.OC(=O)[C@@H]1CCCN(CCOCCCN2c3ccccc3CCc3ccccc23)C1 |r|
Show InChI InChI=1S/C25H32N2O3.ClH/c28-25(29)22-9-5-14-26(19-22)16-18-30-17-6-15-27-23-10-3-1-7-20(23)12-13-21-8-2-4-11-24(21)27;/h1-4,7-8,10-11,22H,5-6,9,12-19H2,(H,28,29);1H/t22-;/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 was determined


J Med Chem 44: 2152-63 (2001)


Article DOI: 10.1021/jm990513k
BindingDB Entry DOI: 10.7270/Q2RB77BX
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter


(Rattus norvegicus)
BDBM50473320
PNG
(CHEMBL545452)
Show SMILES Cl.[#8]-[#6](=O)-[#6@H]-1-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#8]-[#6]\[#6]=[#6]-2\c3ccccc3-[#6]-[#6]-c3ccccc-23)-[#6]-1 |r|
Show InChI InChI=1S/C25H29NO3.ClH/c27-25(28)21-8-5-14-26(18-21)15-17-29-16-13-24-22-9-3-1-6-19(22)11-12-20-7-2-4-10-23(20)24;/h1-4,6-7,9-10,13,21H,5,8,11-12,14-18H2,(H,27,28);1H/t21-;/m0./s1
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Novo Nordisk A/S

Curated by ChEMBL


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


J Med Chem 44: 2152-63 (2001)


Article DOI: 10.1021/jm990513k
BindingDB Entry DOI: 10.7270/Q2RB77BX
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter


(Rattus norvegicus)
BDBM50473309
PNG
(CHEMBL552675)
Show SMILES Cl.OC(=O)[C@@H]1CCCN(CCOCCN2c3ccccc3CCCc3ccccc23)C1 |r|
Show InChI InChI=1S/C25H32N2O3.ClH/c28-25(29)22-11-6-14-26(19-22)15-17-30-18-16-27-23-12-3-1-7-20(23)9-5-10-21-8-2-4-13-24(21)27;/h1-4,7-8,12-13,22H,5-6,9-11,14-19H2,(H,28,29);1H/t22-;/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 was determined


J Med Chem 44: 2152-63 (2001)


Article DOI: 10.1021/jm990513k
BindingDB Entry DOI: 10.7270/Q2RB77BX
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter


(Rattus norvegicus)
BDBM50473302
PNG
(CHEMBL555631)
Show SMILES Cl.[#8]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#8]\[#7]=[#6]-2/c3ccccc3-[#6]-[#6]-c3ccccc-23)-[#6]-1 |r|
Show InChI InChI=1S/C23H26N2O3.ClH/c26-23(27)19-8-5-13-25(16-19)14-15-28-24-22-20-9-3-1-6-17(20)11-12-18-7-2-4-10-21(18)22;/h1-4,6-7,9-10,19H,5,8,11-16H2,(H,26,27);1H/t19-;/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 was determined


J Med Chem 44: 2152-63 (2001)


Article DOI: 10.1021/jm990513k
BindingDB Entry DOI: 10.7270/Q2RB77BX
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter


(Rattus norvegicus)
BDBM50473303
PNG
(CHEMBL542641)
Show SMILES Cl.OC(=O)C1=CN(CCOCCC2c3ccccc3CCc3ccccc23)CCC1 |t:3|
Show InChI InChI=1S/C25H29NO3/c27-25(28)21-8-5-14-26(18-21)15-17-29-16-13-24-22-9-3-1-6-19(22)11-12-20-7-2-4-10-23(20)24/h1-4,6-7,9-10,18,24H,5,8,11-17H2,(H,27,28)
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n/an/a 1.20E+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 was determined


J Med Chem 44: 2152-63 (2001)


Article DOI: 10.1021/jm990513k
BindingDB Entry DOI: 10.7270/Q2RB77BX
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter


(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 1.37E+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 was determined


J Med Chem 44: 2152-63 (2001)


Article DOI: 10.1021/jm990513k
BindingDB Entry DOI: 10.7270/Q2RB77BX
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter


(Rattus norvegicus)
BDBM50226144
PNG
(2,4-Diamino-Butyric Acid | CHEBI:64307 | CHEMBL307...)
Show SMILES NCCC(N)C(O)=O
Show InChI InChI=1S/C4H10N2O2/c5-2-1-3(6)4(7)8/h3H,1-2,5-6H2,(H,7,8)
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n/an/a 2.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of rat neuronal (synaptosomal) GABA uptake.


J Med Chem 29: 224-9 (1986)


BindingDB Entry DOI: 10.7270/Q2FX7CNP
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter


(Rattus norvegicus)
BDBM50078167
PNG
(CHEMBL69064)
Show SMILES [#8]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]\[#6]=[#6]-2\c3ccccc3-c3ccccc-23)-[#6]-1
Show InChI InChI=1S/C22H23NO2/c24-22(25)16-7-5-13-23(15-16)14-6-12-21-19-10-3-1-8-17(19)18-9-2-4-11-20(18)21/h1-4,8-12,16H,5-7,13-15H2,(H,24,25)/t16-/m1/s1
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n/an/a 2.02E+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 was determined


J Med Chem 44: 2152-63 (2001)


Article DOI: 10.1021/jm990513k
BindingDB Entry DOI: 10.7270/Q2RB77BX
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter


(Rattus norvegicus)
BDBM50473308
PNG
(CHEMBL541821)
Show SMILES Cl.OC(=O)[C@H]1CCCN(CCOC\C=C2/c3ccccc3CCc3ccc(Cl)cc23)C1 |r|
Show InChI InChI=1S/C25H28ClNO3.ClH/c26-21-10-9-19-8-7-18-4-1-2-6-22(18)23(24(19)16-21)11-14-30-15-13-27-12-3-5-20(17-27)25(28)29;/h1-2,4,6,9-11,16,20H,3,5,7-8,12-15,17H2,(H,28,29);1H/b23-11+;/t20-;/m0./s1
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n/an/a 2.50E+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 was determined


J Med Chem 44: 2152-63 (2001)


Article DOI: 10.1021/jm990513k
BindingDB Entry DOI: 10.7270/Q2RB77BX
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter


(Rattus norvegicus)
BDBM50473305
PNG
(CHEMBL71789)
Show SMILES OC(=O)C1CCCN(CCOC2c3ccccc3C=Cc3ccccc23)C1 |c:19|
Show InChI InChI=1S/C23H25NO3/c25-23(26)19-8-5-13-24(16-19)14-15-27-22-20-9-3-1-6-17(20)11-12-18-7-2-4-10-21(18)22/h1-4,6-7,9-12,19,22H,5,8,13-16H2,(H,25,26)
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n/an/a 2.50E+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 was determined


J Med Chem 44: 2152-63 (2001)


Article DOI: 10.1021/jm990513k
BindingDB Entry DOI: 10.7270/Q2RB77BX
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter


(Rattus norvegicus)
BDBM50473318
PNG
(CHEMBL539773)
Show SMILES Cl.[#8]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#8]\[#7]=[#6]-2\c3cc(Cl)ccc3-[#6]-[#6]-c3ccc(Cl)cc-23)-[#6]-1 |r|
Show InChI InChI=1S/C23H24Cl2N2O3.ClH/c24-18-7-5-15-3-4-16-6-8-19(25)13-21(16)22(20(15)12-18)26-30-11-10-27-9-1-2-17(14-27)23(28)29;/h5-8,12-13,17H,1-4,9-11,14H2,(H,28,29);1H/t17-;/m1./s1
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n/an/a 5.51E+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 was determined


J Med Chem 44: 2152-63 (2001)


Article DOI: 10.1021/jm990513k
BindingDB Entry DOI: 10.7270/Q2RB77BX
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter


(Rattus norvegicus)
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 6.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of high affinity neuronal GABA uptake by synaptosomes of rat brain membrane


J Med Chem 25: 1157-62 (1982)


BindingDB Entry DOI: 10.7270/Q2FF3VK7
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter


(Rattus norvegicus)
BDBM50223874
PNG
(CHEMBL277372)
Show SMILES O[C@@H]1CCNC[C@@H]1C(O)=O
Show InChI InChI=1S/C6H11NO3/c8-5-1-2-7-3-4(5)6(9)10/h4-5,7-8H,1-3H2,(H,9,10)/t4-,5+/m0/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of high affinity neuronal GABA uptake by synaptosomes of rat brain membrane


J Med Chem 25: 1157-62 (1982)


BindingDB Entry DOI: 10.7270/Q2FF3VK7
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter


(Rattus norvegicus)
BDBM50473310
PNG
(CHEMBL303402)
Show SMILES [#8]-[#6](=O)-[#6]-1-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]\[#6]=[#6]-2\c3ccccc3-[#6]-[#6]-c3ccccc-23)-[#6]-1
Show InChI InChI=1S/C24H27NO2/c26-24(27)20-9-5-15-25(17-20)16-6-12-23-21-10-3-1-7-18(21)13-14-19-8-2-4-11-22(19)23/h1-4,7-8,10-12,20H,5-6,9,13-17H2,(H,26,27)
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n/an/a 1.36E+4n/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 was determined


J Med Chem 44: 2152-63 (2001)


Article DOI: 10.1021/jm990513k
BindingDB Entry DOI: 10.7270/Q2RB77BX
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter


(Rattus norvegicus)
BDBM50473307
PNG
(CHEMBL545692)
Show SMILES Cl.OC(=O)[C@@H]1CCCN(CCOCCN2c3ccccc3Oc3ccccc23)C1 |r|
Show InChI InChI=1S/C22H26N2O4.ClH/c25-22(26)17-6-5-11-23(16-17)12-14-27-15-13-24-18-7-1-3-9-20(18)28-21-10-4-2-8-19(21)24;/h1-4,7-10,17H,5-6,11-16H2,(H,25,26);1H/t17-;/m1./s1
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n/an/a 1.46E+4n/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 was determined


J Med Chem 44: 2152-63 (2001)


Article DOI: 10.1021/jm990513k
BindingDB Entry DOI: 10.7270/Q2RB77BX
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter


(Rattus norvegicus)
BDBM50473304
PNG
(CHEMBL541556)
Show SMILES Cl.OC(=O)[C@@H]1CCCN(CCOCCn2c3ccccc3c3ccccc23)C1 |r|
Show InChI InChI=1S/C22H26N2O3.ClH/c25-22(26)17-6-5-11-23(16-17)12-14-27-15-13-24-20-9-3-1-7-18(20)19-8-2-4-10-21(19)24;/h1-4,7-10,17H,5-6,11-16H2,(H,25,26);1H/t17-;/m1./s1
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n/an/a>4.00E+4n/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 was determined


J Med Chem 44: 2152-63 (2001)


Article DOI: 10.1021/jm990513k
BindingDB Entry DOI: 10.7270/Q2RB77BX
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter


(Rattus norvegicus)
BDBM50226141
PNG
(CHEMBL309688)
Show SMILES Oc1onc2CCNCc12
Show InChI InChI=1S/C6H8N2O2/c9-6-4-3-7-2-1-5(4)8-10-6/h7,9H,1-3H2
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n/an/a 1.30E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of rat neuronal (synaptosomal) GABA uptake.


J Med Chem 29: 224-9 (1986)


BindingDB Entry DOI: 10.7270/Q2FX7CNP
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter


(Rattus norvegicus)
BDBM50226145
PNG
(CHEMBL150830)
Show SMILES Oc1noc2CCNCc12
Show InChI InChI=1S/C6H8N2O2/c9-6-4-3-7-2-1-5(4)10-8-6/h7H,1-3H2,(H,8,9)
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n/an/a 1.60E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of rat neuronal (synaptosomal) GABA uptake.


J Med Chem 29: 224-9 (1986)


BindingDB Entry DOI: 10.7270/Q2FX7CNP
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter


(Rattus norvegicus)
BDBM50223872
PNG
(CHEMBL15851)
Show SMILES O[C@@H]1CNC[C@@H](C1)C(O)=O
Show InChI InChI=1S/C6H11NO3/c8-5-1-4(6(9)10)2-7-3-5/h4-5,7-8H,1-3H2,(H,9,10)/t4-,5+/m1/s1
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n/an/a 1.73E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of high affinity neuronal GABA uptake by synaptosomes of rat brain membrane


J Med Chem 25: 1157-62 (1982)


BindingDB Entry DOI: 10.7270/Q2FF3VK7
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter


(Rattus norvegicus)
BDBM50223876
PNG
(CHEMBL16226)
Show SMILES O[C@H]1CCNC[C@@H]1C(O)=O
Show InChI InChI=1S/C6H11NO3/c8-5-1-2-7-3-4(5)6(9)10/h4-5,7-8H,1-3H2,(H,9,10)/t4-,5-/m0/s1
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n/an/a 2.03E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of high affinity neuronal GABA uptake by synaptosomes of rat brain membrane


J Med Chem 25: 1157-62 (1982)


BindingDB Entry DOI: 10.7270/Q2FF3VK7
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter


(Rattus norvegicus)
BDBM50223871
PNG
(CHEMBL429974)
Show SMILES CC(=O)N[C@@H]1CNC[C@@H](C1)C(O)=O
Show InChI InChI=1S/C8H14N2O3/c1-5(11)10-7-2-6(8(12)13)3-9-4-7/h6-7,9H,2-4H2,1H3,(H,10,11)(H,12,13)/t6-,7+/m1/s1
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n/an/a 2.40E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of high affinity neuronal GABA uptake by synaptosomes of rat brain membrane


J Med Chem 25: 1157-62 (1982)


BindingDB Entry DOI: 10.7270/Q2FF3VK7
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter


(Rattus norvegicus)
BDBM50224808
PNG
(CHEMBL309689)
Show SMILES Oc1noc2CCNCCc12
Show InChI InChI=1S/C7H10N2O2/c10-7-5-1-3-8-4-2-6(5)11-9-7/h8H,1-4H2,(H,9,10)
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of rat neuronal (synaptosomal) GABA uptake.


J Med Chem 29: 224-9 (1986)


BindingDB Entry DOI: 10.7270/Q2FX7CNP
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter


(Rattus norvegicus)
BDBM50226143
PNG
(CHEMBL305673)
Show SMILES Oc1onc2CCCNCc12
Show InChI InChI=1S/C7H10N2O2/c10-7-5-4-8-3-1-2-6(5)9-11-7/h8,10H,1-4H2
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of rat neuronal (synaptosomal) GABA uptake.


J Med Chem 29: 224-9 (1986)


BindingDB Entry DOI: 10.7270/Q2FX7CNP
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter


(Rattus norvegicus)
BDBM50226142
PNG
(CHEMBL292757)
Show SMILES Oc1onc2CCNCCc12
Show InChI InChI=1S/C7H10N2O2/c10-7-5-1-3-8-4-2-6(5)9-11-7/h8,10H,1-4H2
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of rat neuronal (synaptosomal) GABA uptake.


J Med Chem 29: 224-9 (1986)


BindingDB Entry DOI: 10.7270/Q2FX7CNP
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter


(Rattus norvegicus)
BDBM50000106
PNG
(4-CARBOXYPIPERIDINE | CHEMBL279998 | Piperidine-4-...)
Show SMILES OC(=O)C1CCNCC1
Show InChI InChI=1S/C6H11NO2/c8-6(9)5-1-3-7-4-2-5/h5,7H,1-4H2,(H,8,9)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of high affinity neuronal GABA uptake by synaptosomes of rat brain membrane


J Med Chem 25: 1157-62 (1982)


BindingDB Entry DOI: 10.7270/Q2FF3VK7
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter


(Rattus norvegicus)
BDBM50223875
PNG
(CHEMBL280511)
Show SMILES CC(=O)N[C@@H]1CCNC[C@@H]1C(O)=O
Show InChI InChI=1S/C8H14N2O3/c1-5(11)10-7-2-3-9-4-6(7)8(12)13/h6-7,9H,2-4H2,1H3,(H,10,11)(H,12,13)/t6-,7+/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of high affinity neuronal GABA uptake by synaptosomes of rat brain membrane


J Med Chem 25: 1157-62 (1982)


BindingDB Entry DOI: 10.7270/Q2FF3VK7
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter


(Rattus norvegicus)
BDBM50226146
PNG
(CHEMBL74364)
Show SMILES Oc1onc2CNCCCc12
Show InChI InChI=1S/C7H10N2O2/c10-7-5-2-1-3-8-4-6(5)9-11-7/h8,10H,1-4H2
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of rat neuronal (synaptosomal) GABA uptake.


J Med Chem 29: 224-9 (1986)


BindingDB Entry DOI: 10.7270/Q2FX7CNP
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter


(Rattus norvegicus)
BDBM50223873
PNG
(CHEMBL16357)
Show SMILES O[C@@H]1CNCC[C@H]1C(O)=O
Show InChI InChI=1S/C6H11NO3/c8-5-3-7-2-1-4(5)6(9)10/h4-5,7-8H,1-3H2,(H,9,10)/t4-,5-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of high affinity neuronal GABA uptake by synaptosomes of rat brain membrane


J Med Chem 25: 1157-62 (1982)


BindingDB Entry DOI: 10.7270/Q2FF3VK7
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter


(Rattus norvegicus)
BDBM50223877
PNG
(CHEMBL16132)
Show SMILES O[C@H]1CNCC[C@H]1C(O)=O
Show InChI InChI=1S/C6H11NO3/c8-5-3-7-2-1-4(5)6(9)10/h4-5,7-8H,1-3H2,(H,9,10)/t4-,5+/m1/s1
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UniChem

Similars

PubMed
n/an/a>3.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of high affinity neuronal GABA uptake by synaptosomes of rat brain membrane


J Med Chem 25: 1157-62 (1982)


BindingDB Entry DOI: 10.7270/Q2FF3VK7
More data for this
Ligand-Target Pair