Compile Data Set for Download or QSAR

Found 251 hits with Last Name = 'suzdak' and Initial = 'pd'   

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
Peptidylprolyl isomerase (Gallus gallus)	BDBM50068597 (1-[2-Oxo-2-(3,4,5-trimethoxy-phenyl)-acetyl]-piper...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)C(=O)N1CCCCC1C(=O)OC(CCCc1ccccc1)CCCc1ccccc1 Show InChI InChI=1S/C36H43NO7/c1-41-31-24-28(25-32(42-2)34(31)43-3)33(38)35(39)37-23-11-10-22-30(37)36(40)44-29(20-12-18-26-14-6-4-7-15-26)21-13-19-27-16-8-5-9-17-27/h4-9,14-17,24-25,29-30H,10-13,18-23H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of binding to FKBP12 receptor				Bioorg Med Chem Lett 7: 1785-1790 (1997) Article DOI: 10.1016/S0960-894X(97)00304-1 BindingDB Entry DOI: 10.7270/Q2PZ58TF
					More data for this Ligand-Target Pair
Peptidylprolyl isomerase (Gallus gallus)	BDBM50068564 (1-(3,3-Dimethyl-2-oxo-butyryl)-piperidine-2-carbox...) Show SMILES CC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OCCCc1ccccc1 Show InChI InChI=1S/C21H29NO4/c1-21(2,3)18(23)19(24)22-14-8-7-13-17(22)20(25)26-15-9-12-16-10-5-4-6-11-16/h4-6,10-11,17H,7-9,12-15H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of binding to FKBP12 receptor				Bioorg Med Chem Lett 7: 1785-1790 (1997) Article DOI: 10.1016/S0960-894X(97)00304-1 BindingDB Entry DOI: 10.7270/Q2PZ58TF
					More data for this Ligand-Target Pair
Peptidylprolyl isomerase (Gallus gallus)	BDBM50068573 (1-(2-Oxo-2-phenyl-acetyl)-piperidine-2-carboxylic ...) Show SMILES O=C(OC(CCCc1ccccc1)CCCc1ccccc1)C1CCCCN1C(=O)C(=O)c1ccccc1 Show InChI InChI=1S/C33H37NO4/c35-31(28-20-8-3-9-21-28)32(36)34-25-11-10-24-30(34)33(37)38-29(22-12-18-26-14-4-1-5-15-26)23-13-19-27-16-6-2-7-17-27/h1-9,14-17,20-21,29-30H,10-13,18-19,22-25H2	PDB MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of binding to FKBP12 receptor				Bioorg Med Chem Lett 7: 1785-1790 (1997) Article DOI: 10.1016/S0960-894X(97)00304-1 BindingDB Entry DOI: 10.7270/Q2PZ58TF
					More data for this Ligand-Target Pair
Peptidylprolyl isomerase (Gallus gallus)	BDBM50068582 (1-(3,3-Dimethyl-2-oxo-butyryl)-piperidine-2-carbox...) Show SMILES CC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OC(CCCc1ccccc1)CCCc1ccccc1 Show InChI InChI=1S/C31H41NO4/c1-31(2,3)28(33)29(34)32-23-11-10-22-27(32)30(35)36-26(20-12-18-24-14-6-4-7-15-24)21-13-19-25-16-8-5-9-17-25/h4-9,14-17,26-27H,10-13,18-23H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of binding to FKBP12 receptor				Bioorg Med Chem Lett 7: 1785-1790 (1997) Article DOI: 10.1016/S0960-894X(97)00304-1 BindingDB Entry DOI: 10.7270/Q2PZ58TF
					More data for this Ligand-Target Pair
Peptidylprolyl isomerase (Gallus gallus)	BDBM50068610 (1-(3,3-Dimethyl-2-oxo-pentanoyl)-piperidine-2-carb...) Show SMILES CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OCCC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H35NO4/c1-4-28(2,3)25(30)26(31)29-19-12-11-17-24(29)27(32)33-20-18-23(21-13-7-5-8-14-21)22-15-9-6-10-16-22/h5-10,13-16,23-24H,4,11-12,17-20H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	8.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of binding to FKBP12 receptor				Bioorg Med Chem Lett 7: 1785-1790 (1997) Article DOI: 10.1016/S0960-894X(97)00304-1 BindingDB Entry DOI: 10.7270/Q2PZ58TF
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50080358 (1-{2-[2,2-Bis-(2-chloro-phenyl)-vinyloxy]-ethyl}-1...) Show SMILES [#8]-[#6](=O)-[#6]-1=[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#8]\[#6]=[#6](\c2ccccc2Cl)-c2ccccc2Cl)-[#6]-1 |t:3| Show InChI InChI=1S/C22H21Cl2NO3/c23-20-9-3-1-7-17(20)19(18-8-2-4-10-21(18)24)15-28-13-12-25-11-5-6-16(14-25)22(26)27/h1-4,6-10,15H,5,11-14H2,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes				J Med Chem 42: 3447-62 (1999) Article DOI: 10.1021/jm981027k BindingDB Entry DOI: 10.7270/Q2057GMV
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50080382 ((R)-1-{2-[(Z)-2-(2-Chloro-phenyl)-2-o-tolyl-vinylo...) Show SMILES Cc1ccccc1\C(=C\OCCN1CCC[C@H](C1)C(O)=O)c1ccccc1Cl Show InChI InChI=1S/C23H26ClNO3/c1-17-7-2-3-9-19(17)21(20-10-4-5-11-22(20)24)16-28-14-13-25-12-6-8-18(15-25)23(26)27/h2-5,7,9-11,16,18H,6,8,12-15H2,1H3,(H,26,27)/b21-16-/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes				J Med Chem 42: 3447-62 (1999) Article DOI: 10.1021/jm981027k BindingDB Entry DOI: 10.7270/Q2057GMV
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50080367 ((R)-1-{2-[(Z)-2-(2-Chloro-phenyl)-2-phenyl-vinylox...) Show SMILES OC(=O)[C@@H]1CCCN(CCO\C=C(\c2ccccc2)c2ccccc2Cl)C1 Show InChI InChI=1S/C22H24ClNO3/c23-21-11-5-4-10-19(21)20(17-7-2-1-3-8-17)16-27-14-13-24-12-6-9-18(15-24)22(25)26/h1-5,7-8,10-11,16,18H,6,9,12-15H2,(H,25,26)/b20-16-/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes				J Med Chem 42: 3447-62 (1999) Article DOI: 10.1021/jm981027k BindingDB Entry DOI: 10.7270/Q2057GMV
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50080337 ((R)-1-{2-[2,2-Bis-(3-methyl-thiophen-2-yl)-vinylox...) Show SMILES [#6]-c1ccsc1\[#6](=[#6]/[#8]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1sccc1-[#6] Show InChI InChI=1S/C20H25NO3S2/c1-14-5-10-25-18(14)17(19-15(2)6-11-26-19)13-24-9-8-21-7-3-4-16(12-21)20(22)23/h5-6,10-11,13,16H,3-4,7-9,12H2,1-2H3,(H,22,23)/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes				J Med Chem 42: 3447-62 (1999) Article DOI: 10.1021/jm981027k BindingDB Entry DOI: 10.7270/Q2057GMV
					More data for this Ligand-Target Pair
Peptidylprolyl isomerase (Gallus gallus)	BDBM50289698 (1-(3,3-Dimethyl-2-oxo-pentanoyl)-piperidine-2-carb...) Show SMILES CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OC(CCCc1ccccc1)CCc1ccc(OC)cc1 Show InChI InChI=1S/C32H43NO5/c1-5-32(2,3)29(34)30(35)33-23-10-9-16-28(33)31(36)38-27(15-11-14-24-12-7-6-8-13-24)22-19-25-17-20-26(37-4)21-18-25/h6-8,12-13,17-18,20-21,27-28H,5,9-11,14-16,19,22-23H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of binding to FKBP12 receptor				Bioorg Med Chem Lett 7: 1785-1790 (1997) Article DOI: 10.1016/S0960-894X(97)00304-1 BindingDB Entry DOI: 10.7270/Q2PZ58TF
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50080376 ((R)-1-{2-[(E)-2-(3-Methyl-thiophen-2-yl)-2-o-tolyl...) Show SMILES Cc1ccsc1\C(=C\OCCN1CCC[C@H](C1)C(O)=O)c1ccccc1C Show InChI InChI=1S/C22H27NO3S/c1-16-6-3-4-8-19(16)20(21-17(2)9-13-27-21)15-26-12-11-23-10-5-7-18(14-23)22(24)25/h3-4,6,8-9,13,15,18H,5,7,10-12,14H2,1-2H3,(H,24,25)/b20-15+/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes				J Med Chem 42: 3447-62 (1999) Article DOI: 10.1021/jm981027k BindingDB Entry DOI: 10.7270/Q2057GMV
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50080327 (1-{2-[(Z)-2-(2-Fluoro-phenyl)-2-o-tolyl-vinyloxy]-...) Show SMILES Cc1ccccc1\C(=C\OCCN1CCC=C(C1)C(O)=O)c1ccccc1F |c:16| Show InChI InChI=1S/C23H24FNO3/c1-17-7-2-3-9-19(17)21(20-10-4-5-11-22(20)24)16-28-14-13-25-12-6-8-18(15-25)23(26)27/h2-5,7-11,16H,6,12-15H2,1H3,(H,26,27)/b21-16-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes				J Med Chem 42: 3447-62 (1999) Article DOI: 10.1021/jm981027k BindingDB Entry DOI: 10.7270/Q2057GMV
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50080335 ((R)-1-[2-(2,2-Di-o-tolyl-vinyloxy)-ethyl]-piperidi...) Show SMILES [#6]-c1ccccc1\[#6](=[#6]/[#8]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1ccccc1-[#6] Show InChI InChI=1S/C24H29NO3/c1-18-8-3-5-11-21(18)23(22-12-6-4-9-19(22)2)17-28-15-14-25-13-7-10-20(16-25)24(26)27/h3-6,8-9,11-12,17,20H,7,10,13-16H2,1-2H3,(H,26,27)/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes				J Med Chem 42: 3447-62 (1999) Article DOI: 10.1021/jm981027k BindingDB Entry DOI: 10.7270/Q2057GMV
					More data for this Ligand-Target Pair
Peptidylprolyl isomerase (Gallus gallus)	BDBM50068594 (1-(3,3-Dimethyl-2-oxo-pentanoyl)-piperidine-2-carb...) Show SMILES CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OC(CCc1ccccc1)CCc1ccccc1 Show InChI InChI=1S/C30H39NO4/c1-4-30(2,3)27(32)28(33)31-22-12-11-17-26(31)29(34)35-25(20-18-23-13-7-5-8-14-23)21-19-24-15-9-6-10-16-24/h5-10,13-16,25-26H,4,11-12,17-22H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of binding to FKBP12 receptor				Bioorg Med Chem Lett 7: 1785-1790 (1997) Article DOI: 10.1016/S0960-894X(97)00304-1 BindingDB Entry DOI: 10.7270/Q2PZ58TF
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50080375 ((R)-1-[2-((E)-2-Phenyl-2-o-tolyl-vinyloxy)-ethyl]-...) Show SMILES Cc1ccccc1\C(=C\OCCN1CCC[C@H](C1)C(O)=O)c1ccccc1 Show InChI InChI=1S/C23H27NO3/c1-18-8-5-6-12-21(18)22(19-9-3-2-4-10-19)17-27-15-14-24-13-7-11-20(16-24)23(25)26/h2-6,8-10,12,17,20H,7,11,13-16H2,1H3,(H,25,26)/b22-17+/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes				J Med Chem 42: 3447-62 (1999) Article DOI: 10.1021/jm981027k BindingDB Entry DOI: 10.7270/Q2057GMV
					More data for this Ligand-Target Pair
Peptidylprolyl isomerase (Gallus gallus)	BDBM50068591 (1-(3,3-Dimethyl-2-oxo-butyryl)-piperidine-2-carbox...) Show SMILES COc1ccc(CCCCOC(=O)C2CCCCN2C(=O)C(=O)C(C)(C)C)cc1 Show InChI InChI=1S/C23H33NO5/c1-23(2,3)20(25)21(26)24-15-7-5-10-19(24)22(27)29-16-8-6-9-17-11-13-18(28-4)14-12-17/h11-14,19H,5-10,15-16H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of binding to FKBP12 receptor				Bioorg Med Chem Lett 7: 1785-1790 (1997) Article DOI: 10.1016/S0960-894X(97)00304-1 BindingDB Entry DOI: 10.7270/Q2PZ58TF
					More data for this Ligand-Target Pair
Peptidylprolyl isomerase (Gallus gallus)	BDBM50068589 (1-(3,3-Dimethyl-2-oxo-pentanoyl)-piperidine-2-carb...) Show SMILES CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OCCCc1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C25H37NO7/c1-7-25(2,3)22(27)23(28)26-13-9-8-12-18(26)24(29)33-14-10-11-17-15-19(30-4)21(32-6)20(16-17)31-5/h15-16,18H,7-14H2,1-6H3	PDB MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of binding to FKBP12 receptor				Bioorg Med Chem Lett 7: 1785-1790 (1997) Article DOI: 10.1016/S0960-894X(97)00304-1 BindingDB Entry DOI: 10.7270/Q2PZ58TF
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50080368 (1-[2-(2,2-Di-o-tolyl-vinyloxy)-ethyl]-1,2,5,6-tetr...) Show SMILES [#6]-c1ccccc1\[#6](=[#6]/[#8]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]=[#6](-[#6]-1)-[#6](-[#8])=O)-c1ccccc1-[#6] |c:16| Show InChI InChI=1S/C24H27NO3/c1-18-8-3-5-11-21(18)23(22-12-6-4-9-19(22)2)17-28-15-14-25-13-7-10-20(16-25)24(26)27/h3-6,8-12,17H,7,13-16H2,1-2H3,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes				J Med Chem 42: 3447-62 (1999) Article DOI: 10.1021/jm981027k BindingDB Entry DOI: 10.7270/Q2057GMV
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50080388 ((R)-1-{2-[(E)-2-(3-Fluoro-phenyl)-2-o-tolyl-vinylo...) Show SMILES Cc1ccccc1\C(=C\OCCN1CCC[C@H](C1)C(O)=O)c1cccc(F)c1 Show InChI InChI=1S/C23H26FNO3/c1-17-6-2-3-10-21(17)22(18-7-4-9-20(24)14-18)16-28-13-12-25-11-5-8-19(15-25)23(26)27/h2-4,6-7,9-10,14,16,19H,5,8,11-13,15H2,1H3,(H,26,27)/b22-16+/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes				J Med Chem 42: 3447-62 (1999) Article DOI: 10.1021/jm981027k BindingDB Entry DOI: 10.7270/Q2057GMV
					More data for this Ligand-Target Pair
Peptidylprolyl isomerase (Gallus gallus)	BDBM50068572 (1-(3,3-Dimethyl-2-oxo-pentanoyl)-piperidine-2-carb...) Show SMILES CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OC(CCCc1ccccc1)CCCc1ccccc1 Show InChI InChI=1S/C32H43NO4/c1-4-32(2,3)29(34)30(35)33-24-12-11-23-28(33)31(36)37-27(21-13-19-25-15-7-5-8-16-25)22-14-20-26-17-9-6-10-18-26/h5-10,15-18,27-28H,4,11-14,19-24H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of binding to FKBP12 receptor				Bioorg Med Chem Lett 7: 1785-1790 (1997) Article DOI: 10.1016/S0960-894X(97)00304-1 BindingDB Entry DOI: 10.7270/Q2PZ58TF
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50080331 ((R)-1-{2-[(Z)-2-(4-Fluoro-2-methyl-phenyl)-2-o-tol...) Show SMILES Cc1ccccc1\C(=C\OCCN1CCC[C@H](C1)C(O)=O)c1ccc(F)cc1C Show InChI InChI=1S/C24H28FNO3/c1-17-6-3-4-8-21(17)23(22-10-9-20(25)14-18(22)2)16-29-13-12-26-11-5-7-19(15-26)24(27)28/h3-4,6,8-10,14,16,19H,5,7,11-13,15H2,1-2H3,(H,27,28)/b23-16-/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes				J Med Chem 42: 3447-62 (1999) Article DOI: 10.1021/jm981027k BindingDB Entry DOI: 10.7270/Q2057GMV
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50080355 ((R)-1-{2-[2,2-Bis-(2-ethyl-phenyl)-vinyloxy]-ethyl...) Show SMILES [#6]-[#6]-c1ccccc1\[#6](=[#6]\[#8]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1ccccc1-[#6]-[#6] Show InChI InChI=1S/C26H33NO3/c1-3-20-10-5-7-13-23(20)25(24-14-8-6-11-21(24)4-2)19-30-17-16-27-15-9-12-22(18-27)26(28)29/h5-8,10-11,13-14,19,22H,3-4,9,12,15-18H2,1-2H3,(H,28,29)/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes				J Med Chem 42: 3447-62 (1999) Article DOI: 10.1021/jm981027k BindingDB Entry DOI: 10.7270/Q2057GMV
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50080365 ((R)-1-{2-[1-(2,4-Dichloro-phenyl)-1-(3-methyl-thio...) Show SMILES Cc1ccsc1\C(=N\OCCN1CCC[C@H](C1)C(O)=O)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C20H22Cl2N2O3S/c1-13-6-10-28-19(13)18(16-5-4-15(21)11-17(16)22)23-27-9-8-24-7-2-3-14(12-24)20(25)26/h4-6,10-11,14H,2-3,7-9,12H2,1H3,(H,25,26)/b23-18+/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes				J Med Chem 42: 3447-62 (1999) Article DOI: 10.1021/jm981027k BindingDB Entry DOI: 10.7270/Q2057GMV
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50080328 ((R)-1-{2-[Bis-(2-chloro-phenyl)-methyleneaminooxy]...) Show SMILES [#8]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#8]\[#7]=[#6](\c2ccccc2Cl)-c2ccccc2Cl)-[#6]-1 Show InChI InChI=1S/C21H22Cl2N2O3/c22-18-9-3-1-7-16(18)20(17-8-2-4-10-19(17)23)24-28-13-12-25-11-5-6-15(14-25)21(26)27/h1-4,7-10,15H,5-6,11-14H2,(H,26,27)/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes				J Med Chem 42: 3447-62 (1999) Article DOI: 10.1021/jm981027k BindingDB Entry DOI: 10.7270/Q2057GMV
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50080373 ((R)-1-{2-[1-(2-Fluoro-phenyl)-1-o-tolyl-meth-(Z)-y...) Show SMILES Cc1ccccc1\C(=N\OCCN1CCC[C@H](C1)C(O)=O)c1ccccc1F Show InChI InChI=1S/C22H25FN2O3/c1-16-7-2-3-9-18(16)21(19-10-4-5-11-20(19)23)24-28-14-13-25-12-6-8-17(15-25)22(26)27/h2-5,7,9-11,17H,6,8,12-15H2,1H3,(H,26,27)/b24-21-/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes				J Med Chem 42: 3447-62 (1999) Article DOI: 10.1021/jm981027k BindingDB Entry DOI: 10.7270/Q2057GMV
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50080369 ((S)-1-{2-[Bis-(3-methyl-thiophen-2-yl)-methyleneam...) Show SMILES [#6]-c1ccsc1\[#6](=[#7]/[#8]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@@H](-[#6]-1)-[#6](-[#8])=O)-c1sccc1-[#6] Show InChI InChI=1S/C19H24N2O3S2/c1-13-5-10-25-17(13)16(18-14(2)6-11-26-18)20-24-9-8-21-7-3-4-15(12-21)19(22)23/h5-6,10-11,15H,3-4,7-9,12H2,1-2H3,(H,22,23)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes				J Med Chem 42: 3447-62 (1999) Article DOI: 10.1021/jm981027k BindingDB Entry DOI: 10.7270/Q2057GMV
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50080344 (1-(2-Benzhydrylideneaminooxy-ethyl)-1,2,5,6-tetrah...) Show SMILES [#8]-[#6](=O)-[#6]-1=[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#8]\[#7]=[#6](/c2ccccc2)-c2ccccc2)-[#6]-1 |t:3| Show InChI InChI=1S/C21H22N2O3/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/h1-6,8-12H,7,13-16H2,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes				J Med Chem 42: 3447-62 (1999) Article DOI: 10.1021/jm981027k BindingDB Entry DOI: 10.7270/Q2057GMV
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50080359 (1-{2-[2,2-Bis-(2-ethyl-phenyl)-vinyloxy]-ethyl}-1,...) Show SMILES [#6]-[#6]-c1ccccc1\[#6](=[#6]\[#8]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]=[#6](-[#6]-1)-[#6](-[#8])=O)-c1ccccc1-[#6]-[#6] |c:17| Show InChI InChI=1S/C26H31NO3/c1-3-20-10-5-7-13-23(20)25(24-14-8-6-11-21(24)4-2)19-30-17-16-27-15-9-12-22(18-27)26(28)29/h5-8,10-14,19H,3-4,9,15-18H2,1-2H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes				J Med Chem 42: 3447-62 (1999) Article DOI: 10.1021/jm981027k BindingDB Entry DOI: 10.7270/Q2057GMV
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50080370 ((R)-1-{2-[(Z)-2-(3-Fluoro-phenyl)-2-o-tolyl-vinylo...) Show SMILES Cc1ccccc1\C(=C/OCCN1CCC[C@H](C1)C(O)=O)c1cccc(F)c1 Show InChI InChI=1S/C23H26FNO3/c1-17-6-2-3-10-21(17)22(18-7-4-9-20(24)14-18)16-28-13-12-25-11-5-8-19(15-25)23(26)27/h2-4,6-7,9-10,14,16,19H,5,8,11-13,15H2,1H3,(H,26,27)/b22-16-/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes				J Med Chem 42: 3447-62 (1999) Article DOI: 10.1021/jm981027k BindingDB Entry DOI: 10.7270/Q2057GMV
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50080323 ((R)-1-[2-((Z)-2-Phenyl-2-o-tolyl-vinyloxy)-ethyl]-...) Show SMILES Cc1ccccc1\C(=C/OCCN1CCC[C@H](C1)C(O)=O)c1ccccc1 Show InChI InChI=1S/C23H27NO3/c1-18-8-5-6-12-21(18)22(19-9-3-2-4-10-19)17-27-15-14-24-13-7-11-20(16-24)23(25)26/h2-6,8-10,12,17,20H,7,11,13-16H2,1H3,(H,25,26)/b22-17-/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes				J Med Chem 42: 3447-62 (1999) Article DOI: 10.1021/jm981027k BindingDB Entry DOI: 10.7270/Q2057GMV
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50080333 ((R)-1-{2-[(E)-2-(2,4-Difluoro-phenyl)-2-(2,5-diflu...) Show SMILES OC(=O)[C@@H]1CCCN(CCO\C=C(/c2ccc(F)cc2F)c2cc(F)ccc2F)C1 Show InChI InChI=1S/C22H21F4NO3/c23-15-4-6-20(25)18(10-15)19(17-5-3-16(24)11-21(17)26)13-30-9-8-27-7-1-2-14(12-27)22(28)29/h3-6,10-11,13-14H,1-2,7-9,12H2,(H,28,29)/b19-13+/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes				J Med Chem 42: 3447-62 (1999) Article DOI: 10.1021/jm981027k BindingDB Entry DOI: 10.7270/Q2057GMV
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50080336 ((R)-1-{2-[2,2-Bis-(2-chloro-phenyl)-vinyloxy]-ethy...) Show SMILES [#8]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#8]\[#6]=[#6](\c2ccccc2Cl)-c2ccccc2Cl)-[#6]-1 Show InChI InChI=1S/C22H23Cl2NO3/c23-20-9-3-1-7-17(20)19(18-8-2-4-10-21(18)24)15-28-13-12-25-11-5-6-16(14-25)22(26)27/h1-4,7-10,15-16H,5-6,11-14H2,(H,26,27)/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes				J Med Chem 42: 3447-62 (1999) Article DOI: 10.1021/jm981027k BindingDB Entry DOI: 10.7270/Q2057GMV
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50080340 ((R)-1-{2-[(2,4-Difluoro-phenyl)-(2,5-difluoro-phen...) Show SMILES OC(=O)[C@@H]1CCCN(CCO\N=C(\c2ccc(F)cc2F)c2cc(F)ccc2F)C1 Show InChI InChI=1S/C21H20F4N2O3/c22-14-4-6-18(24)17(10-14)20(16-5-3-15(23)11-19(16)25)26-30-9-8-27-7-1-2-13(12-27)21(28)29/h3-6,10-11,13H,1-2,7-9,12H2,(H,28,29)/b26-20-/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes				J Med Chem 42: 3447-62 (1999) Article DOI: 10.1021/jm981027k BindingDB Entry DOI: 10.7270/Q2057GMV
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50080330 ((R)-1-{2-[(E)-2-(2-Chloro-phenyl)-2-phenyl-vinylox...) Show SMILES OC(=O)[C@@H]1CCCN(CCO\C=C(/c2ccccc2)c2ccccc2Cl)C1 Show InChI InChI=1S/C22H24ClNO3/c23-21-11-5-4-10-19(21)20(17-7-2-1-3-8-17)16-27-14-13-24-12-6-9-18(15-24)22(25)26/h1-5,7-8,10-11,16,18H,6,9,12-15H2,(H,25,26)/b20-16+/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes				J Med Chem 42: 3447-62 (1999) Article DOI: 10.1021/jm981027k BindingDB Entry DOI: 10.7270/Q2057GMV
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50080324 (1-(2-Di-o-tolylmethyleneaminooxy-ethyl)-1,2,5,6-te...) Show SMILES [#6]-c1ccccc1\[#6](=[#7]/[#8]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]=[#6](-[#6]-1)-[#6](-[#8])=O)-c1ccccc1-[#6] |c:16| Show InChI InChI=1S/C23H26N2O3/c1-17-8-3-5-11-20(17)22(21-12-6-4-9-18(21)2)24-28-15-14-25-13-7-10-19(16-25)23(26)27/h3-6,8-12H,7,13-16H2,1-2H3,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes				J Med Chem 42: 3447-62 (1999) Article DOI: 10.1021/jm981027k BindingDB Entry DOI: 10.7270/Q2057GMV
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50080387 ((R)-1-{2-[1-(1-Methyl-1H-pyrrol-2-yl)-1-phenyl-met...) Show SMILES Cn1cccc1\C(=N\OCCN1CCC[C@H](C1)C(O)=O)c1ccccc1 Show InChI InChI=1S/C20H25N3O3/c1-22-11-6-10-18(22)19(16-7-3-2-4-8-16)21-26-14-13-23-12-5-9-17(15-23)20(24)25/h2-4,6-8,10-11,17H,5,9,12-15H2,1H3,(H,24,25)/b21-19+/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes				J Med Chem 42: 3447-62 (1999) Article DOI: 10.1021/jm981027k BindingDB Entry DOI: 10.7270/Q2057GMV
					More data for this Ligand-Target Pair
Peptidylprolyl isomerase (Gallus gallus)	BDBM50068596 (1-(3,3-Dimethyl-2-oxo-pentanoyl)-piperidine-2-carb...) Show SMILES CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OCCCCc1ccc(OC)cc1 Show InChI InChI=1S/C24H35NO5/c1-5-24(2,3)21(26)22(27)25-16-8-6-11-20(25)23(28)30-17-9-7-10-18-12-14-19(29-4)15-13-18/h12-15,20H,5-11,16-17H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of binding to FKBP12 receptor				Bioorg Med Chem Lett 7: 1785-1790 (1997) Article DOI: 10.1016/S0960-894X(97)00304-1 BindingDB Entry DOI: 10.7270/Q2PZ58TF
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50080374 ((R)-1-{2-[2,2-Bis-(4-fluoro-2-methyl-phenyl)-vinyl...) Show SMILES [#6]-c1cc(F)ccc1\[#6](=[#6]\[#8]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1ccc(F)cc1-[#6] Show InChI InChI=1S/C24H27F2NO3/c1-16-12-19(25)5-7-21(16)23(22-8-6-20(26)13-17(22)2)15-30-11-10-27-9-3-4-18(14-27)24(28)29/h5-8,12-13,15,18H,3-4,9-11,14H2,1-2H3,(H,28,29)/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes				J Med Chem 42: 3447-62 (1999) Article DOI: 10.1021/jm981027k BindingDB Entry DOI: 10.7270/Q2057GMV
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50080341 (1-{2-[(Z)-2-(3-Chloro-phenyl)-2-o-tolyl-vinyloxy]-...) Show SMILES Cc1ccccc1\C(=C/OCCN1CCC=C(C1)C(O)=O)c1cccc(Cl)c1 |c:16| Show InChI InChI=1S/C23H24ClNO3/c1-17-6-2-3-10-21(17)22(18-7-4-9-20(24)14-18)16-28-13-12-25-11-5-8-19(15-25)23(26)27/h2-4,6-10,14,16H,5,11-13,15H2,1H3,(H,26,27)/b22-16-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	64	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes				J Med Chem 42: 3447-62 (1999) Article DOI: 10.1021/jm981027k BindingDB Entry DOI: 10.7270/Q2057GMV
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50080381 ((R)-1-{2-[2,2-Bis-(2-chloro-4-fluoro-phenyl)-vinyl...) Show SMILES [#8]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#8]\[#6]=[#6](/c2ccc(F)cc2Cl)-c2ccc(F)cc2Cl)-[#6]-1 Show InChI InChI=1S/C22H21Cl2F2NO3/c23-20-10-15(25)3-5-17(20)19(18-6-4-16(26)11-21(18)24)13-30-9-8-27-7-1-2-14(12-27)22(28)29/h3-6,10-11,13-14H,1-2,7-9,12H2,(H,28,29)/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes				J Med Chem 42: 3447-62 (1999) Article DOI: 10.1021/jm981027k BindingDB Entry DOI: 10.7270/Q2057GMV
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	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 GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	67	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes				J Med Chem 42: 3447-62 (1999) Article DOI: 10.1021/jm981027k BindingDB Entry DOI: 10.7270/Q2057GMV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50080354 ((R)-1-{2-[1-(3-Methyl-thiophen-2-yl)-1-o-tolyl-met...) Show SMILES Cc1ccsc1\C(=N/OCCN1CCC[C@H](C1)C(O)=O)c1ccccc1C Show InChI InChI=1S/C21H26N2O3S/c1-15-6-3-4-8-18(15)19(20-16(2)9-13-27-20)22-26-12-11-23-10-5-7-17(14-23)21(24)25/h3-4,6,8-9,13,17H,5,7,10-12,14H2,1-2H3,(H,24,25)/b22-19-/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes				J Med Chem 42: 3447-62 (1999) Article DOI: 10.1021/jm981027k BindingDB Entry DOI: 10.7270/Q2057GMV
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50080354 ((R)-1-{2-[1-(3-Methyl-thiophen-2-yl)-1-o-tolyl-met...) Show SMILES Cc1ccsc1\C(=N/OCCN1CCC[C@H](C1)C(O)=O)c1ccccc1C Show InChI InChI=1S/C21H26N2O3S/c1-15-6-3-4-8-18(15)19(20-16(2)9-13-27-20)22-26-12-11-23-10-5-7-17(14-23)21(24)25/h3-4,6,8-9,13,17H,5,7,10-12,14H2,1-2H3,(H,24,25)/b22-19-/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes				J Med Chem 42: 3447-62 (1999) Article DOI: 10.1021/jm981027k BindingDB Entry DOI: 10.7270/Q2057GMV
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50080364 ((R)-1-(2-Di-o-tolylmethyleneaminooxy-ethyl)-piperi...) Show SMILES [#6]-c1ccccc1\[#6](=[#7]/[#8]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1ccccc1-[#6] Show InChI InChI=1S/C23H28N2O3/c1-17-8-3-5-11-20(17)22(21-12-6-4-9-18(21)2)24-28-15-14-25-13-7-10-19(16-25)23(26)27/h3-6,8-9,11-12,19H,7,10,13-16H2,1-2H3,(H,26,27)/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes				J Med Chem 42: 3447-62 (1999) Article DOI: 10.1021/jm981027k BindingDB Entry DOI: 10.7270/Q2057GMV
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50080334 ((R)-1-{2-[1-(3-Methyl-thiophen-2-yl)-1-thiophen-2-...) Show SMILES Cc1ccsc1\C(=N/OCCN1CCC[C@H](C1)C(O)=O)c1cccs1 Show InChI InChI=1S/C18H22N2O3S2/c1-13-6-11-25-17(13)16(15-5-3-10-24-15)19-23-9-8-20-7-2-4-14(12-20)18(21)22/h3,5-6,10-11,14H,2,4,7-9,12H2,1H3,(H,21,22)/b19-16-/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes				J Med Chem 42: 3447-62 (1999) Article DOI: 10.1021/jm981027k BindingDB Entry DOI: 10.7270/Q2057GMV
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50080380 (1-{2-[2,2-Bis-(4-fluoro-2-methyl-phenyl)-vinyloxy]...) Show SMILES [#6]-c1cc(F)ccc1\[#6](=[#6]\[#8]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]=[#6](-[#6]-1)-[#6](-[#8])=O)-c1ccc(F)cc1-[#6] |c:17| Show InChI InChI=1S/C24H25F2NO3/c1-16-12-19(25)5-7-21(16)23(22-8-6-20(26)13-17(22)2)15-30-11-10-27-9-3-4-18(14-27)24(28)29/h4-8,12-13,15H,3,9-11,14H2,1-2H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes				J Med Chem 42: 3447-62 (1999) Article DOI: 10.1021/jm981027k BindingDB Entry DOI: 10.7270/Q2057GMV
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50080346 ((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	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	81	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes				J Med Chem 42: 3447-62 (1999) Article DOI: 10.1021/jm981027k BindingDB Entry DOI: 10.7270/Q2057GMV
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50080369 ((S)-1-{2-[Bis-(3-methyl-thiophen-2-yl)-methyleneam...) Show SMILES [#6]-c1ccsc1\[#6](=[#7]/[#8]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@@H](-[#6]-1)-[#6](-[#8])=O)-c1sccc1-[#6] Show InChI InChI=1S/C19H24N2O3S2/c1-13-5-10-25-17(13)16(18-14(2)6-11-26-18)20-24-9-8-21-7-3-4-15(12-21)19(22)23/h5-6,10-11,15H,3-4,7-9,12H2,1-2H3,(H,22,23)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	82	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes				J Med Chem 42: 3447-62 (1999) Article DOI: 10.1021/jm981027k BindingDB Entry DOI: 10.7270/Q2057GMV
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50080332 ((R)-1-{2-[(E)-2-(3-Methoxy-phenyl)-2-o-tolyl-vinyl...) Show SMILES COc1cccc(c1)C(=C/OCCN1CCC[C@H](C1)C(O)=O)\c1ccccc1C Show InChI InChI=1S/C24H29NO4/c1-18-7-3-4-11-22(18)23(19-8-5-10-21(15-19)28-2)17-29-14-13-25-12-6-9-20(16-25)24(26)27/h3-5,7-8,10-11,15,17,20H,6,9,12-14,16H2,1-2H3,(H,26,27)/b23-17+/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	83	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes				J Med Chem 42: 3447-62 (1999) Article DOI: 10.1021/jm981027k BindingDB Entry DOI: 10.7270/Q2057GMV
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50080350 ((S)-1-{2-[1-(3-Methyl-thiophen-2-yl)-1-o-tolyl-met...) Show SMILES Cc1ccsc1\C(=N\OCCN1CCC[C@@H](C1)C(O)=O)c1ccccc1C Show InChI InChI=1S/C21H26N2O3S/c1-15-6-3-4-8-18(15)19(20-16(2)9-13-27-20)22-26-12-11-23-10-5-7-17(14-23)21(24)25/h3-4,6,8-9,13,17H,5,7,10-12,14H2,1-2H3,(H,24,25)/b22-19+/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	83	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes				J Med Chem 42: 3447-62 (1999) Article DOI: 10.1021/jm981027k BindingDB Entry DOI: 10.7270/Q2057GMV
					More data for this Ligand-Target Pair

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