Compile Data Set for Download or QSAR

Found 507 hits with Last Name = 'podkowa' and Initial = 'a'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cholinesterase (Homo sapiens (Human))	BDBM50247011 (CHEMBL4080419) Show SMILES Cl.CN(C)CCN(CC1CCCN(C1)C1Cc2ccccc2C1)C(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C30H37N3O.ClH/c1-31(2)16-17-33(30(34)28-14-13-24-9-3-4-10-25(24)18-28)22-23-8-7-15-32(21-23)29-19-26-11-5-6-12-27(26)20-29;/h3-6,9-14,18,23,29H,7-8,15-17,19-22H2,1-2H3;1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.0110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Competitive inhibition of recombinant human BChE using butyrylthiocholine iodide as substrate at pH 8 by stopped flow assay				J Med Chem 61: 119-139 (2018) Article DOI: 10.1021/acs.jmedchem.7b01086 BindingDB Entry DOI: 10.7270/Q2S75JRJ
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50247011 (CHEMBL4080419) Show SMILES Cl.CN(C)CCN(CC1CCCN(C1)C1Cc2ccccc2C1)C(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C30H37N3O.ClH/c1-31(2)16-17-33(30(34)28-14-13-24-9-3-4-10-25(24)18-28)22-23-8-7-15-32(21-23)29-19-26-11-5-6-12-27(26)20-29;/h3-6,9-14,18,23,29H,7-8,15-17,19-22H2,1-2H3;1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.0110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Competitive inhibition of recombinant human BChE using butyrylthiocholine iodide as substrate at pH 8 by stopped flow assay				J Med Chem 61: 119-139 (2018) Article DOI: 10.1021/acs.jmedchem.7b01086 BindingDB Entry DOI: 10.7270/Q2S75JRJ
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM8963 (CHEMBL32823 | Homodimeric Tacrine Analog 3b | N-[7...) Show SMILES C(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C33H40N4/c1(2-12-22-34-32-24-14-4-8-18-28(24)36-29-19-9-5-15-25(29)32)3-13-23-35-33-26-16-6-10-20-30(26)37-31-21-11-7-17-27(31)33/h4,6,8,10,14,16,18,20H,1-3,5,7,9,11-13,15,17,19,21-23H2,(H,34,36)(H,35,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	0.163	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Competitive inhibition of recombinant human BChE using butyrylthiocholine iodide as substrate at pH 8 by stopped flow assay				J Med Chem 61: 119-139 (2018) Article DOI: 10.1021/acs.jmedchem.7b01086 BindingDB Entry DOI: 10.7270/Q2S75JRJ
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50563999 (CHEMBL4595698) Show SMILES OC(=O)C1=CCCN(CCO\N=C\c2ccccc2-c2ccc(Cl)cc2Cl)C1 |t:3| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]NO711 from mouse GAT1 expressed in HEK293 cells measured after 40 mins of incubation by LC-ESI-MS-MS method				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111920 BindingDB Entry DOI: 10.7270/Q2FJ2MJJ
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50021363 (CHEMBL3289578) Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6](/c1ccccc1)-c1ccccc1)-[#6](-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-c1ccc(-[#6])cc1 Show InChI InChI=1S/C29H35N3O/c1-23-15-17-24(18-16-23)22-31-29(33)28(19-20-30)32(2)21-9-14-27(25-10-5-3-6-11-25)26-12-7-4-8-13-26/h3-8,10-18,28H,9,19-22,30H2,1-2H3,(H,31,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.12E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of NO711 from mouse GAT1 expressed in HEK293 cells by LC-MS/MS analysis				Eur J Med Chem 83: 256-73 (2014) Article DOI: 10.1016/j.ejmech.2014.06.024 BindingDB Entry DOI: 10.7270/Q21N82P9
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50021382 (CHEMBL3289580) Show SMILES [#7]-[#6]-[#6]-[#6](-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](/c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccccc1Cl Show InChI InChI=1S/C29H32ClN3O/c30-26-14-8-7-13-25(26)21-32-29(34)27(15-18-31)33-19-16-24(17-20-33)28(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-14,27H,15-21,31H2,(H,32,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.05E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of NO711 from mouse GAT1 expressed in HEK293 cells by LC-MS/MS analysis				Eur J Med Chem 83: 256-73 (2014) Article DOI: 10.1016/j.ejmech.2014.06.024 BindingDB Entry DOI: 10.7270/Q21N82P9
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50021360 (CHEMBL3289575) Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6](/c1ccccc1)-c1ccccc1)-[#6](-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-c1ccccc1Cl Show InChI InChI=1S/C28H32ClN3O/c1-32(27(18-19-30)28(33)31-21-24-15-8-9-17-26(24)29)20-10-16-25(22-11-4-2-5-12-22)23-13-6-3-7-14-23/h2-9,11-17,27H,10,18-21,30H2,1H3,(H,31,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]NO711 from mouse GAT1 expressed in HEK293 cells measured after 40 mins of incubation by LC-ESI-MS-MS method				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111920 BindingDB Entry DOI: 10.7270/Q2FJ2MJJ
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50021375 (CHEMBL3289568) Show SMILES [#6]-c1ccc(-[#6]-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#7])-[#7]-[#6]-[#6]\[#6]=[#6](/c2ccccc2)-c2ccccc2)cc1 Show InChI InChI=1S/C28H33N3O/c1-22-14-16-23(17-15-22)21-31-28(32)27(18-19-29)30-20-8-13-26(24-9-4-2-5-10-24)25-11-6-3-7-12-25/h2-7,9-17,27,30H,8,18-21,29H2,1H3,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of NO711 from mouse GAT1 expressed in HEK293 cells by LC-MS/MS analysis				Eur J Med Chem 83: 256-73 (2014) Article DOI: 10.1016/j.ejmech.2014.06.024 BindingDB Entry DOI: 10.7270/Q21N82P9
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50021360 (CHEMBL3289575) Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6](/c1ccccc1)-c1ccccc1)-[#6](-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-c1ccccc1Cl Show InChI InChI=1S/C28H32ClN3O/c1-32(27(18-19-30)28(33)31-21-24-15-8-9-17-26(24)29)20-10-16-25(22-11-4-2-5-12-22)23-13-6-3-7-14-23/h2-9,11-17,27H,10,18-21,30H2,1H3,(H,31,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of NO711 from mouse GAT1 expressed in HEK293 cells by LC-MS/MS analysis				Eur J Med Chem 83: 256-73 (2014) Article DOI: 10.1016/j.ejmech.2014.06.024 BindingDB Entry DOI: 10.7270/Q21N82P9
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50021361 (CHEMBL3289576) Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6](/c1ccccc1)-c1ccccc1)-[#6](-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-c1ccc(Cl)cc1 Show InChI InChI=1S/C28H32ClN3O/c1-32(27(18-19-30)28(33)31-21-22-14-16-25(29)17-15-22)20-8-13-26(23-9-4-2-5-10-23)24-11-6-3-7-12-24/h2-7,9-17,27H,8,18-21,30H2,1H3,(H,31,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.12E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of NO711 from mouse GAT1 expressed in HEK293 cells by LC-MS/MS analysis				Eur J Med Chem 83: 256-73 (2014) Article DOI: 10.1016/j.ejmech.2014.06.024 BindingDB Entry DOI: 10.7270/Q21N82P9
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50563994 (CHEMBL4780692) Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6](-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-c1ccccc1Cl Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	1.17E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]NO711 from mouse GAT1 expressed in HEK293 cells measured after 40 mins of incubation by LC-ESI-MS-MS method				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111920 BindingDB Entry DOI: 10.7270/Q2FJ2MJJ
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50021381 (CHEMBL3289574) Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6](/c1ccccc1)-c1ccccc1)-[#6](-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-c1ccccc1 Show InChI InChI=1S/C28H33N3O/c1-31(27(19-20-29)28(32)30-22-23-12-5-2-6-13-23)21-11-18-26(24-14-7-3-8-15-24)25-16-9-4-10-17-25/h2-10,12-18,27H,11,19-22,29H2,1H3,(H,30,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.26E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of NO711 from mouse GAT1 expressed in HEK293 cells by LC-MS/MS analysis				Eur J Med Chem 83: 256-73 (2014) Article DOI: 10.1016/j.ejmech.2014.06.024 BindingDB Entry DOI: 10.7270/Q21N82P9
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50021380 (CHEMBL3289573) Show SMILES CN(CCCC(c1ccccc1)c1ccccc1)C(CCN)C(=O)NCc1ccc(C)cc1 Show InChI InChI=1S/C29H37N3O/c1-23-15-17-24(18-16-23)22-31-29(33)28(19-20-30)32(2)21-9-14-27(25-10-5-3-6-11-25)26-12-7-4-8-13-26/h3-8,10-13,15-18,27-28H,9,14,19-22,30H2,1-2H3,(H,31,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.55E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of NO711 from mouse GAT1 expressed in HEK293 cells by LC-MS/MS analysis				Eur J Med Chem 83: 256-73 (2014) Article DOI: 10.1016/j.ejmech.2014.06.024 BindingDB Entry DOI: 10.7270/Q21N82P9
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50021362 (CHEMBL3289577) Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6](/c1ccccc1)-c1ccccc1)-[#6](-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-c1ccc(F)cc1 Show InChI InChI=1S/C28H32FN3O/c1-32(27(18-19-30)28(33)31-21-22-14-16-25(29)17-15-22)20-8-13-26(23-9-4-2-5-10-23)24-11-6-3-7-12-24/h2-7,9-17,27H,8,18-21,30H2,1H3,(H,31,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.58E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of NO711 from mouse GAT1 expressed in HEK293 cells by LC-MS/MS analysis				Eur J Med Chem 83: 256-73 (2014) Article DOI: 10.1016/j.ejmech.2014.06.024 BindingDB Entry DOI: 10.7270/Q21N82P9
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50021373 (CHEMBL3289566) Show SMILES [#7]-[#6]-[#6]-[#6](-[#7]-[#6]-[#6]\[#6]=[#6](/c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccc(Cl)cc1 Show InChI InChI=1S/C27H30ClN3O/c28-24-15-13-21(14-16-24)20-31-27(32)26(17-18-29)30-19-7-12-25(22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-6,8-16,26,30H,7,17-20,29H2,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.62E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of NO711 from mouse GAT1 expressed in HEK293 cells by LC-MS/MS analysis				Eur J Med Chem 83: 256-73 (2014) Article DOI: 10.1016/j.ejmech.2014.06.024 BindingDB Entry DOI: 10.7270/Q21N82P9
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50021364 (CHEMBL3289579) Show SMILES [#7]-[#6]-[#6]-[#6](-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](/c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccccc1 Show InChI InChI=1S/C29H33N3O/c30-19-16-27(29(33)31-22-23-10-4-1-5-11-23)32-20-17-26(18-21-32)28(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,27H,16-22,30H2,(H,31,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.66E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of NO711 from mouse GAT1 expressed in HEK293 cells by LC-MS/MS analysis				Eur J Med Chem 83: 256-73 (2014) Article DOI: 10.1016/j.ejmech.2014.06.024 BindingDB Entry DOI: 10.7270/Q21N82P9
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50021390 (CHEMBL3289588) Show SMILES Cc1ccc(CNC(=O)C(CCN)N2CCC(CC2)C(c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C30H37N3O/c1-23-12-14-24(15-13-23)22-32-30(34)28(16-19-31)33-20-17-27(18-21-33)29(25-8-4-2-5-9-25)26-10-6-3-7-11-26/h2-15,27-29H,16-22,31H2,1H3,(H,32,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.66E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of NO711 from mouse GAT1 expressed in HEK293 cells by LC-MS/MS analysis				Eur J Med Chem 83: 256-73 (2014) Article DOI: 10.1016/j.ejmech.2014.06.024 BindingDB Entry DOI: 10.7270/Q21N82P9
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50021371 (CHEMBL3289295) Show SMILES [#7]-[#6]-[#6]-[#6](-[#7]-[#6]-[#6]\[#6]=[#6](/c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccccc1 Show InChI InChI=1S/C27H31N3O/c28-19-18-26(27(31)30-21-22-11-4-1-5-12-22)29-20-10-17-25(23-13-6-2-7-14-23)24-15-8-3-9-16-24/h1-9,11-17,26,29H,10,18-21,28H2,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.74E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of NO711 from mouse GAT1 expressed in HEK293 cells by LC-MS/MS analysis				Eur J Med Chem 83: 256-73 (2014) Article DOI: 10.1016/j.ejmech.2014.06.024 BindingDB Entry DOI: 10.7270/Q21N82P9
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50021378 (CHEMBL3289571) Show SMILES CN(CCCC(c1ccccc1)c1ccccc1)C(CCN)C(=O)NCc1ccc(Cl)cc1 Show InChI InChI=1S/C28H34ClN3O/c1-32(27(18-19-30)28(33)31-21-22-14-16-25(29)17-15-22)20-8-13-26(23-9-4-2-5-10-23)24-11-6-3-7-12-24/h2-7,9-12,14-17,26-27H,8,13,18-21,30H2,1H3,(H,31,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.78E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of NO711 from mouse GAT1 expressed in HEK293 cells by LC-MS/MS analysis				Eur J Med Chem 83: 256-73 (2014) Article DOI: 10.1016/j.ejmech.2014.06.024 BindingDB Entry DOI: 10.7270/Q21N82P9
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50563997 (CHEMBL4796172) Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6](-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-c1ccc(-[#6])cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.82E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]NO711 from mouse GAT1 expressed in HEK293 cells measured after 40 mins of incubation by LC-ESI-MS-MS method				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111920 BindingDB Entry DOI: 10.7270/Q2FJ2MJJ
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50564007 (CHEMBL4795631) Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6]-c1ccc(Cl)cc1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.86E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]NO711 from mouse GAT1 expressed in HEK293 cells measured after 40 mins of incubation by LC-ESI-MS-MS method				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111920 BindingDB Entry DOI: 10.7270/Q2FJ2MJJ
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50563995 (CHEMBL4785506) Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6](-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-c1ccc(Cl)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]NO711 from mouse GAT1 expressed in HEK293 cells measured after 40 mins of incubation by LC-ESI-MS-MS method				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111920 BindingDB Entry DOI: 10.7270/Q2FJ2MJJ
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50021379 (CHEMBL3289572) Show SMILES CN(CCCC(c1ccccc1)c1ccccc1)C(CCN)C(=O)NCc1ccc(F)cc1 Show InChI InChI=1S/C28H34FN3O/c1-32(27(18-19-30)28(33)31-21-22-14-16-25(29)17-15-22)20-8-13-26(23-9-4-2-5-10-23)24-11-6-3-7-12-24/h2-7,9-12,14-17,26-27H,8,13,18-21,30H2,1H3,(H,31,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.14E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of NO711 from mouse GAT1 expressed in HEK293 cells by LC-MS/MS analysis				Eur J Med Chem 83: 256-73 (2014) Article DOI: 10.1016/j.ejmech.2014.06.024 BindingDB Entry DOI: 10.7270/Q21N82P9
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50021377 (CHEMBL3289570) Show SMILES CN(CCCC(c1ccccc1)c1ccccc1)C(CCN)C(=O)NCc1ccccc1Cl Show InChI InChI=1S/C28H34ClN3O/c1-32(27(18-19-30)28(33)31-21-24-15-8-9-17-26(24)29)20-10-16-25(22-11-4-2-5-12-22)23-13-6-3-7-14-23/h2-9,11-15,17,25,27H,10,16,18-21,30H2,1H3,(H,31,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.14E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of NO711 from mouse GAT1 expressed in HEK293 cells by LC-MS/MS analysis				Eur J Med Chem 83: 256-73 (2014) Article DOI: 10.1016/j.ejmech.2014.06.024 BindingDB Entry DOI: 10.7270/Q21N82P9
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50563996 (CHEMBL4798908) Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6](-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-c1ccc(F)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.19E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]NO711 from mouse GAT1 expressed in HEK293 cells measured after 40 mins of incubation by LC-ESI-MS-MS method				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111920 BindingDB Entry DOI: 10.7270/Q2FJ2MJJ
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50021374 (CHEMBL3289567) Show SMILES [#7]-[#6]-[#6]-[#6](-[#7]-[#6]-[#6]\[#6]=[#6](/c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccc(F)cc1 Show InChI InChI=1S/C27H30FN3O/c28-24-15-13-21(14-16-24)20-31-27(32)26(17-18-29)30-19-7-12-25(22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-6,8-16,26,30H,7,17-20,29H2,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.29E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of NO711 from mouse GAT1 expressed in HEK293 cells by LC-MS/MS analysis				Eur J Med Chem 83: 256-73 (2014) Article DOI: 10.1016/j.ejmech.2014.06.024 BindingDB Entry DOI: 10.7270/Q21N82P9
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50021383 (CHEMBL3289581) Show SMILES [#7]-[#6]-[#6]-[#6](-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](/c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccc(Cl)cc1 Show InChI InChI=1S/C29H32ClN3O/c30-26-13-11-22(12-14-26)21-32-29(34)27(15-18-31)33-19-16-25(17-20-33)28(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,27H,15-21,31H2,(H,32,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of NO711 from mouse GAT1 expressed in HEK293 cells by LC-MS/MS analysis				Eur J Med Chem 83: 256-73 (2014) Article DOI: 10.1016/j.ejmech.2014.06.024 BindingDB Entry DOI: 10.7270/Q21N82P9
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50563993 (CHEMBL4792403) Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6](-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.45E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]NO711 from mouse GAT1 expressed in HEK293 cells measured after 40 mins of incubation by LC-ESI-MS-MS method				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111920 BindingDB Entry DOI: 10.7270/Q2FJ2MJJ
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50021384 (CHEMBL3289582) Show SMILES [#7]-[#6]-[#6]-[#6](-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](/c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccc(F)cc1 Show InChI InChI=1S/C29H32FN3O/c30-26-13-11-22(12-14-26)21-32-29(34)27(15-18-31)33-19-16-25(17-20-33)28(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,27H,15-21,31H2,(H,32,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.51E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of NO711 from mouse GAT1 expressed in HEK293 cells by LC-MS/MS analysis				Eur J Med Chem 83: 256-73 (2014) Article DOI: 10.1016/j.ejmech.2014.06.024 BindingDB Entry DOI: 10.7270/Q21N82P9
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50021387 (CHEMBL3289585) Show SMILES NCCC(N1CCC(CC1)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccccc1Cl Show InChI InChI=1S/C29H34ClN3O/c30-26-14-8-7-13-25(26)21-32-29(34)27(15-18-31)33-19-16-24(17-20-33)28(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-14,24,27-28H,15-21,31H2,(H,32,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.57E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of NO711 from mouse GAT1 expressed in HEK293 cells by LC-MS/MS analysis				Eur J Med Chem 83: 256-73 (2014) Article DOI: 10.1016/j.ejmech.2014.06.024 BindingDB Entry DOI: 10.7270/Q21N82P9
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50564008 (CHEMBL4780841) Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6](/c1sccc1-[#6])-c1sccc1-[#6])-[#6@H](-[#6]-[#6]-[#8])-[#6](=O)-[#7]-[#6]-c1ccccc1Cl |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	2.57E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]NO711 from mouse GAT1 expressed in HEK293 cells measured after 40 mins of incubation by LC-ESI-MS-MS method				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111920 BindingDB Entry DOI: 10.7270/Q2FJ2MJJ
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50039246 ((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 |r| 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	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	2.75E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of NO711 from mouse GAT1 expressed in HEK293 cells by LC-MS/MS analysis				Eur J Med Chem 83: 256-73 (2014) Article DOI: 10.1016/j.ejmech.2014.06.024 BindingDB Entry DOI: 10.7270/Q21N82P9
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50021385 (CHEMBL3289583) Show SMILES [#6]-c1ccc(-[#6]-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#7])-[#7]-2-[#6]-[#6]\[#6](-[#6]-[#6]-2)=[#6](/c2ccccc2)-c2ccccc2)cc1 Show InChI InChI=1S/C30H35N3O/c1-23-12-14-24(15-13-23)22-32-30(34)28(16-19-31)33-20-17-27(18-21-33)29(25-8-4-2-5-9-25)26-10-6-3-7-11-26/h2-15,28H,16-22,31H2,1H3,(H,32,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.95E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of NO711 from mouse GAT1 expressed in HEK293 cells by LC-MS/MS analysis				Eur J Med Chem 83: 256-73 (2014) Article DOI: 10.1016/j.ejmech.2014.06.024 BindingDB Entry DOI: 10.7270/Q21N82P9
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50021388 (CHEMBL3289586) Show SMILES NCCC(N1CCC(CC1)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(Cl)cc1 Show InChI InChI=1S/C29H34ClN3O/c30-26-13-11-22(12-14-26)21-32-29(34)27(15-18-31)33-19-16-25(17-20-33)28(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,25,27-28H,15-21,31H2,(H,32,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.02E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of NO711 from mouse GAT1 expressed in HEK293 cells by LC-MS/MS analysis				Eur J Med Chem 83: 256-73 (2014) Article DOI: 10.1016/j.ejmech.2014.06.024 BindingDB Entry DOI: 10.7270/Q21N82P9
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50021376 (CHEMBL3289569) Show SMILES CN(CCCC(c1ccccc1)c1ccccc1)C(CCN)C(=O)NCc1ccccc1 Show InChI InChI=1S/C28H35N3O/c1-31(27(19-20-29)28(32)30-22-23-12-5-2-6-13-23)21-11-18-26(24-14-7-3-8-15-24)25-16-9-4-10-17-25/h2-10,12-17,26-27H,11,18-22,29H2,1H3,(H,30,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.09E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of NO711 from mouse GAT1 expressed in HEK293 cells by LC-MS/MS analysis				Eur J Med Chem 83: 256-73 (2014) Article DOI: 10.1016/j.ejmech.2014.06.024 BindingDB Entry DOI: 10.7270/Q21N82P9
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50021386 (CHEMBL3289584) Show SMILES NCCC(N1CCC(CC1)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C29H35N3O/c30-19-16-27(29(33)31-22-23-10-4-1-5-11-23)32-20-17-26(18-21-32)28(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,26-28H,16-22,30H2,(H,31,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.24E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of NO711 from mouse GAT1 expressed in HEK293 cells by LC-MS/MS analysis				Eur J Med Chem 83: 256-73 (2014) Article DOI: 10.1016/j.ejmech.2014.06.024 BindingDB Entry DOI: 10.7270/Q21N82P9
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50021389 (CHEMBL3289587) Show SMILES NCCC(N1CCC(CC1)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(F)cc1 Show InChI InChI=1S/C29H34FN3O/c30-26-13-11-22(12-14-26)21-32-29(34)27(15-18-31)33-19-16-25(17-20-33)28(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,25,27-28H,15-21,31H2,(H,32,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.39E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of NO711 from mouse GAT1 expressed in HEK293 cells by LC-MS/MS analysis				Eur J Med Chem 83: 256-73 (2014) Article DOI: 10.1016/j.ejmech.2014.06.024 BindingDB Entry DOI: 10.7270/Q21N82P9
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50564013 (CHEMBL4791795) Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6](/c1sccc1-[#6])-c1sccc1-[#6])-[#6@@H](-[#6]-[#6]-[#8])-[#6](=O)-[#7]-[#6]-c1ccccc1Cl |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	3.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]NO711 from mouse GAT1 expressed in HEK293 cells measured after 40 mins of incubation by LC-ESI-MS-MS method				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111920 BindingDB Entry DOI: 10.7270/Q2FJ2MJJ
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50564004 (CHEMBL4777433) Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6](-[#6]-[#8])-[#6](=O)-[#7]-[#6]-c1ccc(-[#6])cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.89E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]NO711 from mouse GAT1 expressed in HEK293 cells measured after 40 mins of incubation by LC-ESI-MS-MS method				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111920 BindingDB Entry DOI: 10.7270/Q2FJ2MJJ
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50564003 (CHEMBL4787408) Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6](-[#6]-[#8])-[#6](=O)-[#7]-[#6]-c1ccc(F)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.13E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]NO711 from mouse GAT1 expressed in HEK293 cells measured after 40 mins of incubation by LC-ESI-MS-MS method				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111920 BindingDB Entry DOI: 10.7270/Q2FJ2MJJ
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50021370 (CHEMBL3289294) Show SMILES Cc1ccc(CNC(=O)C(CCN)N2CCN(CC2)C(c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C29H36N4O/c1-23-12-14-24(15-13-23)22-31-29(34)27(16-17-30)32-18-20-33(21-19-32)28(25-8-4-2-5-9-25)26-10-6-3-7-11-26/h2-15,27-28H,16-22,30H2,1H3,(H,31,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.31E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of NO711 from mouse GAT1 expressed in HEK293 cells by LC-MS/MS analysis				Eur J Med Chem 83: 256-73 (2014) Article DOI: 10.1016/j.ejmech.2014.06.024 BindingDB Entry DOI: 10.7270/Q21N82P9
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50021369 (CHEMBL3289293) Show SMILES NCCC(N1CCN(CC1)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(F)cc1 Show InChI InChI=1S/C28H33FN4O/c29-25-13-11-22(12-14-25)21-31-28(34)26(15-16-30)32-17-19-33(20-18-32)27(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,26-27H,15-21,30H2,(H,31,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.61E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of NO711 from mouse GAT1 expressed in HEK293 cells by LC-MS/MS analysis				Eur J Med Chem 83: 256-73 (2014) Article DOI: 10.1016/j.ejmech.2014.06.024 BindingDB Entry DOI: 10.7270/Q21N82P9
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50564014 (CHEMBL4779532) Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6]-c1ccc(Cl)cc1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.71E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]NO711 from mouse GAT1 expressed in HEK293 cells measured after 40 mins of incubation by LC-ESI-MS-MS method				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111920 BindingDB Entry DOI: 10.7270/Q2FJ2MJJ
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50247022 (CHEMBL4089230) Show SMILES CN(C)CCN(CC1CCCN(C1)C1Cc2ccccc2C1)C(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C30H37N3O/c1-31(2)16-17-33(30(34)28-14-13-24-9-3-4-10-25(24)18-28)22-23-8-7-15-32(21-23)29-19-26-11-5-6-12-27(26)20-29/h3-6,9-14,18,23,29H,7-8,15-17,19-22H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of recombinant human BChE using butyrylthiocholine iodide as substrate preincubated for 300 secs followed by substrate addition measured f...				J Med Chem 61: 119-139 (2018) Article DOI: 10.1021/acs.jmedchem.7b01086 BindingDB Entry DOI: 10.7270/Q2S75JRJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cholinesterase (Homo sapiens (Human))	BDBM50246979 (CHEMBL4105611 | US20230331674, Table 1.1) Show SMILES COCCN(CC1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C26H32N2O3S/c1-31-17-16-28(32(29,30)26-14-13-24-11-5-6-12-25(24)18-26)21-23-10-7-15-27(20-23)19-22-8-3-2-4-9-22/h2-6,8-9,11-14,18,23H,7,10,15-17,19-21H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of recombinant human BChE using butyrylthiocholine iodide as substrate preincubated for 300 secs followed by substrate addition measured f...				J Med Chem 61: 119-139 (2018) Article DOI: 10.1021/acs.jmedchem.7b01086 BindingDB Entry DOI: 10.7270/Q2S75JRJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50563999 (CHEMBL4595698) Show SMILES OC(=O)C1=CCCN(CCO\N=C\c2ccccc2-c2ccc(Cl)cc2Cl)C1 |t:3| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of [3H]NO711 binding to mouse GAT1 expressed in human HEK293 cell line by MS binding assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113512 BindingDB Entry DOI: 10.7270/Q2R21568
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50563999 (CHEMBL4595698) Show SMILES OC(=O)C1=CCCN(CCO\N=C\c2ccccc2-c2ccc(Cl)cc2Cl)C1 |t:3| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse GAT1 expressed in HEK293 cell line assessed as inhibition of [3H]GABA uptake measured after 35 mins by liquid scintillation metho...				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111920 BindingDB Entry DOI: 10.7270/Q2FJ2MJJ
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50563999 (CHEMBL4595698) Show SMILES OC(=O)C1=CCCN(CCO\N=C\c2ccccc2-c2ccc(Cl)cc2Cl)C1 |t:3| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse GAT1 expressed in human HEK293 cell line assessed as inhibition of [3H]GABA uptake measured after 40 mins by LC-ESI-MS/MS analysi...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113512 BindingDB Entry DOI: 10.7270/Q2R21568
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of AChE in mouse brain homogenate using acetylthiocholine as substrate preincubated for 300 secs followed by substrate addition by Ellman'...				J Med Chem 61: 119-139 (2018) Article DOI: 10.1021/acs.jmedchem.7b01086 BindingDB Entry DOI: 10.7270/Q2S75JRJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cholinesterase (Homo sapiens (Human))	BDBM50247010 (CHEMBL4068039) Show SMILES Cl.Cl.CNCCN(CC1CCCN(C1)C1Cc2ccccc2C1)C(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C29H35N3O.2ClH/c1-30-14-16-32(29(33)27-13-12-23-8-2-3-9-24(23)17-27)21-22-7-6-15-31(20-22)28-18-25-10-4-5-11-26(25)19-28;;/h2-5,8-13,17,22,28,30H,6-7,14-16,18-21H2,1H3;2*1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of recombinant human BChE using butyrylthiocholine iodide as substrate preincubated for 300 secs followed by substrate addition measured f...				J Med Chem 61: 119-139 (2018) Article DOI: 10.1021/acs.jmedchem.7b01086 BindingDB Entry DOI: 10.7270/Q2S75JRJ
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 507 total )  |  Next  |  Last  >>

Jump to: