Found 150 hits of ic50 data for polymerid = 50000110 Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50368628
(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 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank PDB Article PubMed
| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
Hokkaido University
Curated by ChEMBL
| Assay Description Inhibition of human GAT1 transfected in CHO cells assessed as [3H]GABA uptake after 20 mins by liquid scintillation counting analysis |
Bioorg Med Chem 21: 4938-50 (2013)
Article DOI: 10.1016/j.bmc.2013.06.063 BindingDB Entry DOI: 10.7270/Q2NZ891C |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50039251
((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 | PDB
Reactome pathway KEGG
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| DrugBank PDB PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Synaptic Pharmaceutical Corporation
Curated by ChEMBL
| Assay Description Inhibitory activity against human GABA transporter-1 (hGAT1) |
J Med Chem 37: 2334-42 (1994)
BindingDB Entry DOI: 10.7270/Q2P849XX |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50003634
(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) | PDB
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| Article PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Ludwig-Maximilians-University M£nchen
Curated by ChEMBL
| Assay Description Inhibition of human GAT1 expressed in COS cells assessed as decrease in [3H]GABA uptake after 10 mins by scintillation counting analysis |
Bioorg Med Chem 27: 1232-1245 (2019)
Article DOI: 10.1016/j.bmc.2019.02.015 BindingDB Entry DOI: 10.7270/Q2P272J5 |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50003634
(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) | PDB
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| Article
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Compound was tested for its ability to inhibit uptake of [3H]- GABA by cloned human GAT-1 transporter |
Bioorg Med Chem Lett 6: 1535-1540 (1996)
Article DOI: 10.1016/S0960-894X(96)00268-5 BindingDB Entry DOI: 10.7270/Q2NV9J79 |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50020891
((R)-1-(4,4-Diphenyl-but-3-enyl)-piperidine-3-carbo...)Show SMILES [#8]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]\[#6]=[#6](/c2ccccc2)-c2ccccc2)-[#6]-1 Show InChI InChI=1S/C22H25NO2/c24-22(25)20-13-7-15-23(17-20)16-8-14-21(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-12,14,20H,7-8,13,15-17H2,(H,24,25)/t20-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL MCE PC cid PC sid UniChem
Patents
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| PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Synaptic Pharmaceutical Corporation
Curated by ChEMBL
| Assay Description Inhibitory activity against human GABA transporter-1 (hGAT1) |
J Med Chem 37: 2334-42 (1994)
BindingDB Entry DOI: 10.7270/Q2P849XX |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50039251
((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 | PDB
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| DrugBank PDB Article PubMed
| n/a | n/a | 155 | n/a | n/a | n/a | n/a | n/a | n/a |
Ludwig-Maximilians-Universit£t M£nchen
Curated by ChEMBL
| Assay Description Inhibition of NO711 binding to human GAT1 expressed in COS cell membranes preincubated for 25 mins by LC-ESI-MS/MS analysis |
J Med Chem 61: 10310-10332 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01602 BindingDB Entry DOI: 10.7270/Q2NS0Z8M |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50003634
(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) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL MCE PC cid PC sid PDB UniChem
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| Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Zentrum f£r Pharmaforschung
Curated by ChEMBL
| Assay Description Binding affinity to GAT1 |
Eur J Med Chem 45: 2453-66 (2010)
Article DOI: 10.1016/j.ejmech.2010.02.029 BindingDB Entry DOI: 10.7270/Q2GH9J5D |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50020882
(1-(4,4-Diphenyl-but-3-enyl)-1,2,5,6-tetrahydro-pyr...)Show SMILES [#8]-[#6](=O)-[#6]-1=[#6]-[#6]-[#6]-[#7](-[#6]-[#6]\[#6]=[#6](/c2ccccc2)-c2ccccc2)-[#6]-1 |t:3| Show InChI InChI=1S/C22H23NO2/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/h1-6,9-14H,7-8,15-17H2,(H,24,25) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Zentrum f£r Pharmaforschung
Curated by ChEMBL
| Assay Description Binding affinity to GAT1 |
Eur J Med Chem 45: 2453-66 (2010)
Article DOI: 10.1016/j.ejmech.2010.02.029 BindingDB Entry DOI: 10.7270/Q2GH9J5D |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50003618
(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 |t:3| 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) | PDB
Reactome pathway KEGG
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CHEMBL PC cid PC sid UniChem
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| PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
Synaptic Pharmaceutical Corporation
Curated by ChEMBL
| Assay Description Inhibitory activity against human GABA transporter-1 (hGAT1) |
J Med Chem 37: 2334-42 (1994)
BindingDB Entry DOI: 10.7270/Q2P849XX |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50039251
((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 | PDB
Reactome pathway KEGG
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| DrugBank PDB Article PubMed
| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description Inhibition of GAT1 transport activity |
Bioorg Med Chem Lett 16: 225-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.004 BindingDB Entry DOI: 10.7270/Q29887SD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50437144
(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 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 309 | n/a | n/a | n/a | n/a | n/a | n/a |
Zentrum f£r Pharmaforschung
Curated by ChEMBL
| Assay Description Inhibition of GABA uptake at GAT-1 (unknown origin) |
Eur J Med Chem 65: 487-99 (2013)
Article DOI: 10.1016/j.ejmech.2013.04.063 BindingDB Entry DOI: 10.7270/Q20V8F5W |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50175792
((R)-1-[4,4-bis(3-(phenoxymethyl)-2-thienyl)-3-bute...)Show SMILES [#8]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c2sccc2-[#6]-[#8]-c2ccccc2)-c2sccc2-[#6]-[#8]-c2ccccc2)-[#6]-1 Show InChI InChI=1S/C32H33NO4S2/c34-32(35)24-9-7-17-33(21-24)18-8-14-29(30-25(15-19-38-30)22-36-27-10-3-1-4-11-27)31-26(16-20-39-31)23-37-28-12-5-2-6-13-28/h1-6,10-16,19-20,24H,7-9,17-18,21-23H2,(H,34,35)/t24-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 340 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description Inhibition of GAT1 transport activity |
Bioorg Med Chem Lett 16: 225-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.004 BindingDB Entry DOI: 10.7270/Q29887SD |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50039251
((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 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank PDB Article PubMed
| n/a | n/a | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
Ludwig-Maximilians-Universit£t M£nchen
Curated by ChEMBL
| Assay Description Inhibition of human GAT1 expressed in HEK293 cells by [3H]GABA uptake assay |
Bioorg Med Chem 23: 1284-306 (2015)
Article DOI: 10.1016/j.bmc.2015.01.035 BindingDB Entry DOI: 10.7270/Q2QR4ZTK |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50437145
(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 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 646 | n/a | n/a | n/a | n/a | n/a | n/a |
Zentrum f£r Pharmaforschung
Curated by ChEMBL
| Assay Description Inhibition of GABA uptake at GAT-1 (unknown origin) |
Eur J Med Chem 65: 487-99 (2013)
Article DOI: 10.1016/j.ejmech.2013.04.063 BindingDB Entry DOI: 10.7270/Q20V8F5W |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50175796
(1-(4,4-bis(3-(phenoxymethyl)thiophen-2-yl)but-3-en...)Show SMILES [#8]-[#6](=O)-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6]-[#8]-c1ccccc1)-c1sccc1-[#6]-[#8]-c1ccccc1 Show InChI InChI=1S/C32H33NO4S2/c34-32(35)29-15-7-8-18-33(29)19-9-14-28(30-24(16-20-38-30)22-36-26-10-3-1-4-11-26)31-25(17-21-39-31)23-37-27-12-5-2-6-13-27/h1-6,10-14,16-17,20-21,29H,7-9,15,18-19,22-23H2,(H,34,35) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 650 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description Inhibition of GAT1 transport activity |
Bioorg Med Chem Lett 16: 225-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.004 BindingDB Entry DOI: 10.7270/Q29887SD |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50175799
((R)-1-(4,4-bis(3-(cyclohexyloxymethyl)thiophen-2-y...)Show SMILES [#8]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c2sccc2-[#6]-[#8]-[#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)-c2sccc2-[#6]-[#8]-[#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)-[#6]-1 Show InChI InChI=1S/C32H45NO4S2/c34-32(35)24-9-7-17-33(21-24)18-8-14-29(30-25(15-19-38-30)22-36-27-10-3-1-4-11-27)31-26(16-20-39-31)23-37-28-12-5-2-6-13-28/h14-16,19-20,24,27-28H,1-13,17-18,21-23H2,(H,34,35)/t24-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 680 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description Inhibition of GAT1 transport activity |
Bioorg Med Chem Lett 16: 225-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.004 BindingDB Entry DOI: 10.7270/Q29887SD |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50063498
(CHEMBL3398501)Show SMILES [H][C@@]1([#6]-[#6]-[#6]-[#7]1-[#6]-[#6]\[#6]=[#6](/c1sccc1-[#6])-c1sccc1-[#6])[#6@H](-[#8])-[#6](-[#8])=O |r| Show InChI InChI=1S/C20H25NO3S2/c1-13-7-11-25-18(13)15(19-14(2)8-12-26-19)5-3-9-21-10-4-6-16(21)17(22)20(23)24/h5,7-8,11-12,16-17,22H,3-4,6,9-10H2,1-2H3,(H,23,24)/t16-,17+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 724 | n/a | n/a | n/a | n/a | n/a | n/a |
Ludwig-Maximilians-Universit£t M£nchen
Curated by ChEMBL
| Assay Description Inhibition of human GAT1 expressed in HEK293 cells by [3H]GABA uptake assay |
Bioorg Med Chem 23: 1284-306 (2015)
Article DOI: 10.1016/j.bmc.2015.01.035 BindingDB Entry DOI: 10.7270/Q2QR4ZTK |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50175783
((R)-1-(4,4-bis(3-(benzyloxymethyl)thiophen-2-yl)bu...)Show SMILES [#8]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c2sccc2-[#6]-[#8]-[#6]-c2ccccc2)-c2sccc2-[#6]-[#8]-[#6]-c2ccccc2)-[#6]-1 Show InChI InChI=1S/C34H37NO4S2/c36-34(37)28-13-7-17-35(21-28)18-8-14-31(32-29(15-19-40-32)24-38-22-26-9-3-1-4-10-26)33-30(16-20-41-33)25-39-23-27-11-5-2-6-12-27/h1-6,9-12,14-16,19-20,28H,7-8,13,17-18,21-25H2,(H,36,37)/t28-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 840 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description Inhibition of GAT1 transport activity |
Bioorg Med Chem Lett 16: 225-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.004 BindingDB Entry DOI: 10.7270/Q29887SD |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50175790
(1-(4,4-bis(3-(cyclohexyloxymethyl)thiophen-2-yl)bu...)Show SMILES [#8]-[#6](=O)-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6]-[#8]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-c1sccc1-[#6]-[#8]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1 Show InChI InChI=1S/C32H45NO4S2/c34-32(35)29-15-7-8-18-33(29)19-9-14-28(30-24(16-20-38-30)22-36-26-10-3-1-4-11-26)31-25(17-21-39-31)23-37-27-12-5-2-6-13-27/h14,16-17,20-21,26-27,29H,1-13,15,18-19,22-23H2,(H,34,35) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 940 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description Inhibition of GAT1 transport activity |
Bioorg Med Chem Lett 16: 225-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.004 BindingDB Entry DOI: 10.7270/Q29887SD |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50175784
(1-(4,4-bis(3-(cyclohexyloxymethyl)thiophen-2-yl)bu...)Show SMILES [#8]-[#6](=O)-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c2sccc2-[#6]-[#8]-[#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)-c2sccc2-[#6]-[#8]-[#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)-[#6]-[#6]-1 Show InChI InChI=1S/C32H45NO4S2/c34-32(35)24-13-18-33(19-14-24)17-7-12-29(30-25(15-20-38-30)22-36-27-8-3-1-4-9-27)31-26(16-21-39-31)23-37-28-10-5-2-6-11-28/h12,15-16,20-21,24,27-28H,1-11,13-14,17-19,22-23H2,(H,34,35) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.24E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description Inhibition of GAT1 transport activity |
Bioorg Med Chem Lett 16: 225-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.004 BindingDB Entry DOI: 10.7270/Q29887SD |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50175791
(1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl)piperi...)Show SMILES [#6]-c1ccsc1\[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1-[#6](-[#8])=O)-c1sccc1-[#6] Show InChI InChI=1S/C20H25NO2S2/c1-14-8-12-24-18(14)16(19-15(2)9-13-25-19)6-5-11-21-10-4-3-7-17(21)20(22)23/h6,8-9,12-13,17H,3-5,7,10-11H2,1-2H3,(H,22,23) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.36E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description Inhibition of GAT1 transport activity |
Bioorg Med Chem Lett 16: 225-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.004 BindingDB Entry DOI: 10.7270/Q29887SD |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50003627
(1-(2-Trityloxy-ethyl)-piperidine-3-carboxylic acid...)Show SMILES OC(=O)C1CCCN(CCOC(c2ccccc2)(c2ccccc2)c2ccccc2)C1 Show InChI InChI=1S/C27H29NO3/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) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Synaptic Pharmaceutical Corporation
Curated by ChEMBL
| Assay Description Inhibitory activity against human GABA transporter-1 (hGAT1) |
J Med Chem 37: 2334-42 (1994)
BindingDB Entry DOI: 10.7270/Q2P849XX |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50175786
(1-(4,4-bis(3-(phenoxymethyl)thiophen-2-yl)but-3-en...)Show SMILES [#8]-[#6](=O)-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c2sccc2-[#6]-[#8]-c2ccccc2)-c2sccc2-[#6]-[#8]-c2ccccc2)-[#6]-[#6]-1 Show InChI InChI=1S/C32H33NO4S2/c34-32(35)24-13-18-33(19-14-24)17-7-12-29(30-25(15-20-38-30)22-36-27-8-3-1-4-9-27)31-26(16-21-39-31)23-37-28-10-5-2-6-11-28/h1-6,8-12,15-16,20-21,24H,7,13-14,17-19,22-23H2,(H,34,35) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description Inhibition of GAT1 transport activity |
Bioorg Med Chem Lett 16: 225-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.004 BindingDB Entry DOI: 10.7270/Q29887SD |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50063503
(CHEMBL3398499)Show SMILES [H][C@@]1([#6]-[#6]-[#6]-[#7]1-[#6]-[#6]\[#6]=[#6](/c1ccccc1)-c1ccccc1)[#6@H](-[#8])-[#6](-[#8])=O |r| Show InChI InChI=1S/C22H25NO3/c24-21(22(25)26)20-14-8-16-23(20)15-7-13-19(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-13,20-21,24H,7-8,14-16H2,(H,25,26)/t20-,21+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.91E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Ludwig-Maximilians-Universit£t M£nchen
Curated by ChEMBL
| Assay Description Inhibition of human GAT1 expressed in HEK293 cells by [3H]GABA uptake assay |
Bioorg Med Chem 23: 1284-306 (2015)
Article DOI: 10.1016/j.bmc.2015.01.035 BindingDB Entry DOI: 10.7270/Q2QR4ZTK |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50175788
((R)-1-(4,4-bis(3-(methoxymethyl)thiophen-2-yl)but-...)Show SMILES [#6]-[#8]-[#6]-c1ccsc1\[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1sccc1-[#6]-[#8]-[#6] Show InChI InChI=1S/C22H29NO4S2/c1-26-14-17-7-11-28-20(17)19(21-18(15-27-2)8-12-29-21)6-4-10-23-9-3-5-16(13-23)22(24)25/h6-8,11-12,16H,3-5,9-10,13-15H2,1-2H3,(H,24,25)/t16-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description Inhibition of GAT1 transport activity |
Bioorg Med Chem Lett 16: 225-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.004 BindingDB Entry DOI: 10.7270/Q29887SD |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM24183
(4-amino-n-[2,3-3H]butyric acid | 4-aminobutanoic a...)Show InChI InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Drug Design and Pharmacology, Faculty of Health and Medical Sciences, University of Copenhagen , 2100 Copenhagen, Denmark.
Curated by ChEMBL
| Assay Description Inhibition of human GAT1 expresses in tsA201 cells assessed as reduction in [3H]GABA uptake after 3 mins by scintillation counting method |
J Med Chem 60: 8834-8846 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00924 BindingDB Entry DOI: 10.7270/Q2M61NN1 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50039239
(1-[2-(9-Phenyl-9H-fluoren-9-yloxy)-ethyl]-piperidi...)Show SMILES OC(=O)C1CCCN(CCOC2(c3ccccc3-c3ccccc23)c2ccccc2)C1 Show InChI InChI=1S/C27H27NO3/c29-26(30)20-9-8-16-28(19-20)17-18-31-27(21-10-2-1-3-11-21)24-14-6-4-12-22(24)23-13-5-7-15-25(23)27/h1-7,10-15,20H,8-9,16-19H2,(H,29,30) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Synaptic Pharmaceutical Corporation
Curated by ChEMBL
| Assay Description Inhibitory activity against human GABA transporter-1 (hGAT1) |
J Med Chem 37: 2334-42 (1994)
BindingDB Entry DOI: 10.7270/Q2P849XX |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM24183
(4-amino-n-[2,3-3H]butyric acid | 4-aminobutanoic a...)Show InChI InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 3.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Drug Design and Pharmacology, Faculty of Health and Medical Sciences, University of Copenhagen , 2100 Copenhagen, Denmark.
Curated by ChEMBL
| Assay Description Inhibition of human GAT1 expresses in tsA201 cells assessed as reduction in [3H]GABA uptake after 3 mins by scintillation counting method |
J Med Chem 60: 8834-8846 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00924 BindingDB Entry DOI: 10.7270/Q2M61NN1 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50367949
(CHEMBL1788265)Show InChI InChI=1S/C6H11NO2/c8-6(9)3-5-1-2-7-4-5/h5,7H,1-4H2,(H,8,9)/t5-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description Inhibition of human GAT1 expressed in Flp-In CHO cells assessed as reduction in [3H]GABA uptake incubated for 3 mins by liquid scintillation counting... |
J Med Chem 62: 5797-5809 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00026 BindingDB Entry DOI: 10.7270/Q2D2222H |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50367949
(CHEMBL1788265)Show InChI InChI=1S/C6H11NO2/c8-6(9)3-5-1-2-7-4-5/h5,7H,1-4H2,(H,8,9)/t5-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description Inhibition of human GAT1 expressed in Flp-In CHO cells assessed as reduction in [3H]GABA uptake incubated for 3 mins by liquid scintillation counting... |
J Med Chem 62: 5797-5809 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00026 BindingDB Entry DOI: 10.7270/Q2D2222H |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50013223
(CHEMBL349005 | Pyrrolidin-3-yl-acetic acid ((S)-(+...)Show InChI InChI=1S/C6H11NO2/c8-6(9)3-5-1-2-7-4-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description Inhibition of human GAT1 expressed in Flp-In CHO cells assessed as reduction in [3H]GABA uptake incubated for 3 mins by liquid scintillation counting... |
J Med Chem 62: 5797-5809 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00026 BindingDB Entry DOI: 10.7270/Q2D2222H |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50013223
(CHEMBL349005 | Pyrrolidin-3-yl-acetic acid ((S)-(+...)Show InChI InChI=1S/C6H11NO2/c8-6(9)3-5-1-2-7-4-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description Inhibition of human GAT1 expressed in Flp-In CHO cells assessed as reduction in [3H]GABA uptake incubated for 3 mins by liquid scintillation counting... |
J Med Chem 62: 5797-5809 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00026 BindingDB Entry DOI: 10.7270/Q2D2222H |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50063508
(CHEMBL3398500)Show SMILES [H][C@@]1([#6]-[#6]-[#6]-[#7]1-[#6]-[#6]\[#6]=[#6](/c1sccc1-[#6])-c1sccc1-[#6])[#6@@H](-[#8])-[#6](-[#8])=O |r| Show InChI InChI=1S/C20H25NO3S2/c1-13-7-11-25-18(13)15(19-14(2)8-12-26-19)5-3-9-21-10-4-6-16(21)17(22)20(23)24/h5,7-8,11-12,16-17,22H,3-4,6,9-10H2,1-2H3,(H,23,24)/t16-,17-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.17E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Ludwig-Maximilians-Universit£t M£nchen
Curated by ChEMBL
| Assay Description Inhibition of human GAT1 expressed in HEK293 cells by [3H]GABA uptake assay |
Bioorg Med Chem 23: 1284-306 (2015)
Article DOI: 10.1016/j.bmc.2015.01.035 BindingDB Entry DOI: 10.7270/Q2QR4ZTK |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50175793
(1-(4,4-bis(3-(benzyloxymethyl)thiophen-2-yl)but-3-...)Show SMILES [#8]-[#6](=O)-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c2sccc2-[#6]-[#8]-[#6]-c2ccccc2)-c2sccc2-[#6]-[#8]-[#6]-c2ccccc2)-[#6]-[#6]-1 Show InChI InChI=1S/C34H37NO4S2/c36-34(37)28-13-18-35(19-14-28)17-7-12-31(32-29(15-20-40-32)24-38-22-26-8-3-1-4-9-26)33-30(16-21-41-33)25-39-23-27-10-5-2-6-11-27/h1-6,8-12,15-16,20-21,28H,7,13-14,17-19,22-25H2,(H,36,37) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.34E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description Inhibition of GAT1 transport activity |
Bioorg Med Chem Lett 16: 225-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.004 BindingDB Entry DOI: 10.7270/Q29887SD |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM24183
(4-amino-n-[2,3-3H]butyric acid | 4-aminobutanoic a...)Show InChI InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Synaptic Pharmaceutical Corporation
Curated by ChEMBL
| Assay Description Inhibitory activity against human GABA transporter-1 (hGAT1) |
J Med Chem 37: 2334-42 (1994)
BindingDB Entry DOI: 10.7270/Q2P849XX |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50039243
(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) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Synaptic Pharmaceutical Corporation
Curated by ChEMBL
| Assay Description Inhibitory activity against human GABA transporter-1 (hGAT1) |
J Med Chem 37: 2334-42 (1994)
BindingDB Entry DOI: 10.7270/Q2P849XX |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM24183
(4-amino-n-[2,3-3H]butyric acid | 4-aminobutanoic a...)Show InChI InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Ludwig-Maximilians-University M£nchen
Curated by ChEMBL
| Assay Description Inhibition of human GAT1 expressed in COS cells assessed as decrease in [3H]GABA uptake after 10 mins by scintillation counting analysis |
Bioorg Med Chem 27: 1232-1245 (2019)
Article DOI: 10.1016/j.bmc.2019.02.015 BindingDB Entry DOI: 10.7270/Q2P272J5 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50020883
((R)-Piperidine-3-carboxylic acid | (R)-nipecotic a...)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 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB PubMed
| n/a | n/a | 5.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Synaptic Pharmaceutical Corporation
Curated by ChEMBL
| Assay Description Inhibitory activity against human GABA transporter-1 (hGAT1) |
J Med Chem 37: 2334-42 (1994)
BindingDB Entry DOI: 10.7270/Q2P849XX |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50020883
((R)-Piperidine-3-carboxylic acid | (R)-nipecotic a...)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 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 5.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hokkaido University
Curated by ChEMBL
| Assay Description Inhibition of human GAT1 transfected in CHO cells assessed as [3H]GABA uptake after 20 mins by liquid scintillation counting analysis |
Bioorg Med Chem 21: 4938-50 (2013)
Article DOI: 10.1016/j.bmc.2013.06.063 BindingDB Entry DOI: 10.7270/Q2NZ891C |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50020883
((R)-Piperidine-3-carboxylic acid | (R)-nipecotic a...)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 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 5.96E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Ludwig-Maximilians-University M£nchen
Curated by ChEMBL
| Assay Description Inhibition of human GAT1 expressed in COS cells assessed as decrease in [3H]GABA uptake after 10 mins by scintillation counting analysis |
Bioorg Med Chem 27: 1232-1245 (2019)
Article DOI: 10.1016/j.bmc.2019.02.015 BindingDB Entry DOI: 10.7270/Q2P272J5 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50039249
(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) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 6.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Synaptic Pharmaceutical Corporation
Curated by ChEMBL
| Assay Description Inhibitory activity against human GABA transporter-1 (hGAT1) |
J Med Chem 37: 2334-42 (1994)
BindingDB Entry DOI: 10.7270/Q2P849XX |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50175800
((R)-1-(4,4-bis(3-(isopropoxymethyl)thiophen-2-yl)b...)Show SMILES [#6]-[#6](-[#6])-[#8]-[#6]-c1ccsc1\[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1sccc1-[#6]-[#8]-[#6](-[#6])-[#6] Show InChI InChI=1S/C26H37NO4S2/c1-18(2)30-16-21-9-13-32-24(21)23(25-22(10-14-33-25)17-31-19(3)4)8-6-12-27-11-5-7-20(15-27)26(28)29/h8-10,13-14,18-20H,5-7,11-12,15-17H2,1-4H3,(H,28,29)/t20-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description Inhibition of GAT1 transport activity |
Bioorg Med Chem Lett 16: 225-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.004 BindingDB Entry DOI: 10.7270/Q29887SD |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50003624
((RS)-nipecotic acid | CHEMBL277498 | Nipecotic | P...)Show InChI InChI=1S/C6H11NO2/c8-6(9)5-2-1-3-7-4-5/h5,7H,1-4H2,(H,8,9) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB PubMed
| n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Synaptic Pharmaceutical Corporation
Curated by ChEMBL
| Assay Description Inhibitory activity against human GABA transporter-1 (hGAT1) |
J Med Chem 37: 2334-42 (1994)
BindingDB Entry DOI: 10.7270/Q2P849XX |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50003624
((RS)-nipecotic acid | CHEMBL277498 | Nipecotic | P...)Show InChI InChI=1S/C6H11NO2/c8-6(9)5-2-1-3-7-4-5/h5,7H,1-4H2,(H,8,9) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Ludwig-Maximilians-University M£nchen
Curated by ChEMBL
| Assay Description Inhibition of human GAT1 expressed in COS cells assessed as decrease in [3H]GABA uptake after 10 mins by scintillation counting analysis |
Bioorg Med Chem 27: 1232-1245 (2019)
Article DOI: 10.1016/j.bmc.2019.02.015 BindingDB Entry DOI: 10.7270/Q2P272J5 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM24183
(4-amino-n-[2,3-3H]butyric acid | 4-aminobutanoic a...)Show InChI InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description Inhibition of human GAT1 expressed in Flp-In CHO cells assessed as reduction in [3H]GABA uptake incubated for 3 mins by liquid scintillation counting... |
J Med Chem 62: 5797-5809 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00026 BindingDB Entry DOI: 10.7270/Q2D2222H |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50039252
(1-{2-[(3-Fluoro-4-methoxy-phenyl)-(3-fluoro-phenyl...)Show SMILES COc1ccc(cc1F)C(OCCN1CCCC(C1)C(O)=O)(c1ccccc1)c1cccc(F)c1 Show InChI InChI=1S/C28H29F2NO4/c1-34-26-13-12-23(18-25(26)30)28(21-8-3-2-4-9-21,22-10-5-11-24(29)17-22)35-16-15-31-14-6-7-20(19-31)27(32)33/h2-5,8-13,17-18,20H,6-7,14-16,19H2,1H3,(H,32,33) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Synaptic Pharmaceutical Corporation
Curated by ChEMBL
| Assay Description Inhibitory activity against human GABA transporter-1 (hGAT1) |
J Med Chem 37: 2334-42 (1994)
BindingDB Entry DOI: 10.7270/Q2P849XX |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50419338
(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 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.14E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Hokkaido University
Curated by ChEMBL
| Assay Description Inhibition of human GAT1 transfected in CHO cells assessed as [3H]GABA uptake after 20 mins by liquid scintillation counting analysis |
ACS Med Chem Lett 5: 889-93 (2014)
Article DOI: 10.1021/ml500134k BindingDB Entry DOI: 10.7270/Q2WH2RS1 |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50175795
(1-(4,4-bis(3-(methoxymethyl)thiophen-2-yl)but-3-en...)Show SMILES [#6]-[#8]-[#6]-c1ccsc1\[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1-[#6](-[#8])=O)-c1sccc1-[#6]-[#8]-[#6] Show InChI InChI=1S/C22H29NO4S2/c1-26-14-16-8-12-28-20(16)18(21-17(15-27-2)9-13-29-21)6-5-11-23-10-4-3-7-19(23)22(24)25/h6,8-9,12-13,19H,3-5,7,10-11,14-15H2,1-2H3,(H,24,25) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.23E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description Inhibition of GAT1 transport activity |
Bioorg Med Chem Lett 16: 225-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.004 BindingDB Entry DOI: 10.7270/Q29887SD |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM50063511
(CHEMBL3398498)Show SMILES [H][C@@]1([#6]-[#6]-[#6]-[#7]1-[#6]-[#6]\[#6]=[#6](/c1ccccc1)-c1ccccc1)[#6@@H](-[#8])-[#6](-[#8])=O |r| Show InChI InChI=1S/C22H25NO3/c24-21(22(25)26)20-14-8-16-23(20)15-7-13-19(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-13,20-21,24H,7-8,14-16H2,(H,25,26)/t20-,21-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.38E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Ludwig-Maximilians-Universit£t M£nchen
Curated by ChEMBL
| Assay Description Inhibition of human GAT1 expressed in HEK293 cells by [3H]GABA uptake assay |
Bioorg Med Chem 23: 1284-306 (2015)
Article DOI: 10.1016/j.bmc.2015.01.035 BindingDB Entry DOI: 10.7270/Q2QR4ZTK |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Homo sapiens (Human)) | BDBM90787
(1,2,3,6-tetrahydropyridine-5-carboxylic acid;hydro...)Show InChI InChI=1S/C6H9NO2/c8-6(9)5-2-1-3-7-4-5/h2,7H,1,3-4H2,(H,8,9) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Ludwig-Maximilians-University M£nchen
Curated by ChEMBL
| Assay Description Inhibition of human GAT1 expressed in COS cells assessed as decrease in [3H]GABA uptake after 10 mins by scintillation counting analysis |
Bioorg Med Chem 27: 1232-1245 (2019)
Article DOI: 10.1016/j.bmc.2019.02.015 BindingDB Entry DOI: 10.7270/Q2P272J5 |
More data for this Ligand-Target Pair | |