Compile Data Set for Download or QSAR

Found 288 hits with Last Name = 'kardos' and Initial = 'j'   

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
Lysyl oxidase homolog 4 (Homo sapiens)	BDBM50058655 (1,1',1'',1'''-[disulfanediylbis(carbonothioylnitri...) Show SMILES CCN(CC)C(=S)SSC(=S)N(CC)CC Show InChI InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Hungarian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human LOXL4 expressed in baculovirus infected insect cells using diaminopentane as substrate preincubated for 30 mins follo...				Bioorg Med Chem Lett 28: 3113-3118 (2018) Article DOI: 10.1016/j.bmcl.2018.07.001 BindingDB Entry DOI: 10.7270/Q28P6366
					More data for this Ligand-Target Pair
Lysyl oxidase homolog 2 (Homo sapiens (Human))	BDBM50232678 (CHEBI:27413 | CHEMBL1618272 | US10717734, Compound...) Show SMILES NCCC#N Show InChI InChI=1S/C3H6N2/c4-2-1-3-5/h1-2,4H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
Hungarian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant LOXL2 (unknown origin) expressed in NS0 cells using diaminopentane as substrate preincubated for 30 mins followed by substr...				Bioorg Med Chem Lett 28: 3113-3118 (2018) Article DOI: 10.1016/j.bmcl.2018.07.001 BindingDB Entry DOI: 10.7270/Q28P6366
					More data for this Ligand-Target Pair
Lysyl oxidase homolog 3 (Homo sapiens (Human))	BDBM50058655 (1,1',1'',1'''-[disulfanediylbis(carbonothioylnitri...) Show SMILES CCN(CC)C(=S)SSC(=S)N(CC)CC Show InChI InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
Hungarian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human LOXL3 expressed in CHO cells using diaminopentane as substrate preincubated for 30 mins followed by substrate additio...				Bioorg Med Chem Lett 28: 3113-3118 (2018) Article DOI: 10.1016/j.bmcl.2018.07.001 BindingDB Entry DOI: 10.7270/Q28P6366
					More data for this Ligand-Target Pair
Lysyl oxidase homolog 3 (Homo sapiens (Human))	BDBM43362 (MLS000069752 | N,N-dimethylcarbamodithioic acid (d...) Show SMILES CN(C)C(=S)SSC(=S)N(C)C Show InChI InChI=1S/C6H12N2S4/c1-7(2)5(9)11-12-6(10)8(3)4/h1-4H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Hungarian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human LOXL3 expressed in CHO cells using diaminopentane as substrate preincubated for 30 mins followed by substrate additio...				Bioorg Med Chem Lett 28: 3113-3118 (2018) Article DOI: 10.1016/j.bmcl.2018.07.001 BindingDB Entry DOI: 10.7270/Q28P6366
					More data for this Ligand-Target Pair
Lysyl oxidase homolog 2 (Homo sapiens (Human))	BDBM50058655 (1,1',1'',1'''-[disulfanediylbis(carbonothioylnitri...) Show SMILES CCN(CC)C(=S)SSC(=S)N(CC)CC Show InChI InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Hungarian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant LOXL2 (unknown origin) expressed in NS0 cells using diaminopentane as substrate preincubated for 30 mins followed by substr...				Bioorg Med Chem Lett 28: 3113-3118 (2018) Article DOI: 10.1016/j.bmcl.2018.07.001 BindingDB Entry DOI: 10.7270/Q28P6366
					More data for this Ligand-Target Pair
Lysyl oxidase homolog 2 (Homo sapiens (Human))	BDBM43362 (MLS000069752 | N,N-dimethylcarbamodithioic acid (d...) Show SMILES CN(C)C(=S)SSC(=S)N(C)C Show InChI InChI=1S/C6H12N2S4/c1-7(2)5(9)11-12-6(10)8(3)4/h1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Hungarian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant LOXL2 (unknown origin) expressed in NS0 cells using diaminopentane as substrate preincubated for 30 mins followed by substr...				Bioorg Med Chem Lett 28: 3113-3118 (2018) Article DOI: 10.1016/j.bmcl.2018.07.001 BindingDB Entry DOI: 10.7270/Q28P6366
					More data for this Ligand-Target Pair
Lysyl oxidase homolog 3 (Homo sapiens (Human))	BDBM50232678 (CHEBI:27413 | CHEMBL1618272 | US10717734, Compound...) Show SMILES NCCC#N Show InChI InChI=1S/C3H6N2/c4-2-1-3-5/h1-2,4H2	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Hungarian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human LOXL3 expressed in CHO cells using diaminopentane as substrate preincubated for 30 mins followed by substrate additio...				Bioorg Med Chem Lett 28: 3113-3118 (2018) Article DOI: 10.1016/j.bmcl.2018.07.001 BindingDB Entry DOI: 10.7270/Q28P6366
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50426075 (CHEMBL473104) 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	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ catholique de Louvain Curated by ChEMBL					Assay Description Inhibition of mouse GAT1 mediated [3]GABA uptake expressed in HEK293 cells after 3 mins by scintillation counting				Bioorg Med Chem Lett 26: 417-23 (2016) Article DOI: 10.1016/j.bmcl.2015.11.100 BindingDB Entry DOI: 10.7270/Q2V69MF4
					More data for this Ligand-Target Pair
Lysyl oxidase homolog 4 (Homo sapiens)	BDBM43362 (MLS000069752 | N,N-dimethylcarbamodithioic acid (d...) Show SMILES CN(C)C(=S)SSC(=S)N(C)C Show InChI InChI=1S/C6H12N2S4/c1-7(2)5(9)11-12-6(10)8(3)4/h1-4H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Hungarian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human LOXL4 expressed in baculovirus infected insect cells using diaminopentane as substrate preincubated for 30 mins follo...				Bioorg Med Chem Lett 28: 3113-3118 (2018) Article DOI: 10.1016/j.bmcl.2018.07.001 BindingDB Entry DOI: 10.7270/Q28P6366
					More data for this Ligand-Target Pair
Protein-lysine 6-oxidase (Homo sapiens (Human))	BDBM50058655 (1,1',1'',1'''-[disulfanediylbis(carbonothioylnitri...) Show SMILES CCN(CC)C(=S)SSC(=S)N(CC)CC Show InChI InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Hungarian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human LOX expressed in HEK293 cells using diaminopentane as substrate preincubated for 30 mins followed by substrate additi...				Bioorg Med Chem Lett 28: 3113-3118 (2018) Article DOI: 10.1016/j.bmcl.2018.07.001 BindingDB Entry DOI: 10.7270/Q28P6366
					More data for this Ligand-Target Pair
Gamma-hydroxybutyrate receptor (RAT)	BDBM50246038 ((R)-2-(5-hydroxy-8,9-dihydro-5H-benzo[7]annulen-6(...) Show SMILES O[C@H]1c2ccccc2CCC\C1=C/C(O)=O |r| Show InChI InChI=1S/C13H14O3/c14-12(15)8-10-6-3-5-9-4-1-2-7-11(9)13(10)16/h1-2,4,7-8,13,16H,3,5-6H2,(H,14,15)/b10-8+/t13-/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Hungarian Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]SUC from succinic acid binding site of gamma-hydroxybutyrate receptor in rat forebrain synaptic membranes				Bioorg Med Chem Lett 18: 6290-2 (2008) Article DOI: 10.1016/j.bmcl.2008.08.083 BindingDB Entry DOI: 10.7270/Q2NS0TQS
					More data for this Ligand-Target Pair
Gamma-hydroxybutyrate receptor (RAT)	BDBM50246040 ((E,RS)-(6,7,8,9-tetrahydro-5-hydroxy-5H-benzocyclo...) Show SMILES OC1c2ccccc2CCC\C1=C/C(O)=O Show InChI InChI=1S/C13H14O3/c14-12(15)8-10-6-3-5-9-4-1-2-7-11(9)13(10)16/h1-2,4,7-8,13,16H,3,5-6H2,(H,14,15)/b10-8+	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Hungarian Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]SUC from succinic acid binding site of gamma-hydroxybutyrate receptor in rat forebrain synaptic membranes				Bioorg Med Chem Lett 18: 6290-2 (2008) Article DOI: 10.1016/j.bmcl.2008.08.083 BindingDB Entry DOI: 10.7270/Q2NS0TQS
					More data for this Ligand-Target Pair
Gamma-hydroxybutyrate receptor (RAT)	BDBM50246038 ((R)-2-(5-hydroxy-8,9-dihydro-5H-benzo[7]annulen-6(...) Show SMILES O[C@H]1c2ccccc2CCC\C1=C/C(O)=O |r| Show InChI InChI=1S/C13H14O3/c14-12(15)8-10-6-3-5-9-4-1-2-7-11(9)13(10)16/h1-2,4,7-8,13,16H,3,5-6H2,(H,14,15)/b10-8+/t13-/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Hungarian Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]GHB from gamma-hydroxybutyrate binding site of gamma-hydroxybutyrate receptor in rat forebrain synaptic membranes				Bioorg Med Chem Lett 18: 6290-2 (2008) Article DOI: 10.1016/j.bmcl.2008.08.083 BindingDB Entry DOI: 10.7270/Q2NS0TQS
					More data for this Ligand-Target Pair
Gamma-hydroxybutyrate receptor (RAT)	BDBM50246040 ((E,RS)-(6,7,8,9-tetrahydro-5-hydroxy-5H-benzocyclo...) Show SMILES OC1c2ccccc2CCC\C1=C/C(O)=O Show InChI InChI=1S/C13H14O3/c14-12(15)8-10-6-3-5-9-4-1-2-7-11(9)13(10)16/h1-2,4,7-8,13,16H,3,5-6H2,(H,14,15)/b10-8+	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Hungarian Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]GHB from gamma-hydroxybutyrate binding site of gamma-hydroxybutyrate receptor in rat forebrain synaptic membranes				Bioorg Med Chem Lett 18: 6290-2 (2008) Article DOI: 10.1016/j.bmcl.2008.08.083 BindingDB Entry DOI: 10.7270/Q2NS0TQS
					More data for this Ligand-Target Pair
Lysyl oxidase homolog 2 (Homo sapiens (Human))	BDBM50463620 (CHEMBL4240937) Show SMILES CCN1\C(C=Cc2ccccc12)=C1/C(=O)N(N=C1Nc1ccccc1)c1ccccc1 |c:4,18| Show InChI InChI=1S/C26H22N4O/c1-2-29-22-16-10-9-11-19(22)17-18-23(29)24-25(27-20-12-5-3-6-13-20)28-30(26(24)31)21-14-7-4-8-15-21/h3-18H,2H2,1H3,(H,27,28)/b24-23-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hungarian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant LOXL2 (unknown origin) expressed in NS0 cells using diaminopentane as substrate preincubated for 30 mins followed by substr...				Bioorg Med Chem Lett 28: 3113-3118 (2018) Article DOI: 10.1016/j.bmcl.2018.07.001 BindingDB Entry DOI: 10.7270/Q28P6366
					More data for this Ligand-Target Pair
Protein-lysine 6-oxidase (Homo sapiens (Human))	BDBM43362 (MLS000069752 | N,N-dimethylcarbamodithioic acid (d...) Show SMILES CN(C)C(=S)SSC(=S)N(C)C Show InChI InChI=1S/C6H12N2S4/c1-7(2)5(9)11-12-6(10)8(3)4/h1-4H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hungarian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human LOX expressed in HEK293 cells using diaminopentane as substrate preincubated for 30 mins followed by substrate additi...				Bioorg Med Chem Lett 28: 3113-3118 (2018) Article DOI: 10.1016/j.bmcl.2018.07.001 BindingDB Entry DOI: 10.7270/Q28P6366
					More data for this Ligand-Target Pair
Lysyl oxidase homolog 3 (Homo sapiens (Human))	BDBM50463622 (CHEMBL4245637) Show SMILES CC1C(C)=NN(C1=O)c1ccccc1 |c:3| Show InChI InChI=1S/C11H12N2O/c1-8-9(2)12-13(11(8)14)10-6-4-3-5-7-10/h3-8H,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hungarian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human LOXL3 expressed in CHO cells using diaminopentane as substrate preincubated for 30 mins followed by substrate additio...				Bioorg Med Chem Lett 28: 3113-3118 (2018) Article DOI: 10.1016/j.bmcl.2018.07.001 BindingDB Entry DOI: 10.7270/Q28P6366
					More data for this Ligand-Target Pair
Protein-lysine 6-oxidase (Homo sapiens (Human))	BDBM50463618 (CHEMBL4241062) Show SMILES CC1=NN(C(=O)\C1=C\NNc1nnc(C)c(O)n1)c1ccccc1 |t:1| Show InChI InChI=1S/C15H15N7O2/c1-9-12(8-16-19-15-17-13(23)10(2)18-20-15)14(24)22(21-9)11-6-4-3-5-7-11/h3-8,16H,1-2H3,(H2,17,19,20,23)/b12-8+	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hungarian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human LOX expressed in HEK293 cells using diaminopentane as substrate preincubated for 30 mins followed by substrate additi...				Bioorg Med Chem Lett 28: 3113-3118 (2018) Article DOI: 10.1016/j.bmcl.2018.07.001 BindingDB Entry DOI: 10.7270/Q28P6366
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM90787 (1,2,3,6-tetrahydropyridine-5-carboxylic acid;hydro...) Show SMILES OC(=O)C1=CCCNC1 |t:3| 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 GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.68E+3	n/a	n/a	n/a	n/a	n/a	n/a
Budapest University of Technology and Economics Curated by ChEMBL					Assay Description H-bonding interaction between amino acid residue (Asn-137) of Sodium- and chloride-dependent GABA transporter 1TM3 and compound				J Med Chem 47: 5620-9 (2004) Article DOI: 10.1021/jm040809c BindingDB Entry DOI: 10.7270/Q2TX3G43
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM90787 (1,2,3,6-tetrahydropyridine-5-carboxylic acid;hydro...) Show SMILES OC(=O)C1=CCCNC1 |t:3| 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 GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.68E+3	n/a	n/a	n/a	n/a	n/a	n/a
Budapest University of Technology and Economics Curated by ChEMBL					Assay Description H-bonding interaction between amino acid residue (Asn-137) of Sodium- and chloride-dependent GABA transporter 1TM3 and compound				J Med Chem 47: 5620-9 (2004) Article DOI: 10.1021/jm040809c BindingDB Entry DOI: 10.7270/Q2TX3G43
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM90787 (1,2,3,6-tetrahydropyridine-5-carboxylic acid;hydro...) Show SMILES OC(=O)C1=CCCNC1 |t:3| 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 GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.68E+3	n/a	n/a	n/a	n/a	n/a	n/a
Budapest University of Technology and Economics Curated by ChEMBL					Assay Description H-bonding interaction between amino acid residue (Asn-137) of Sodium- and chloride-dependent GABA transporter 1TM3 and compound				J Med Chem 47: 5620-9 (2004) Article DOI: 10.1021/jm040809c BindingDB Entry DOI: 10.7270/Q2TX3G43
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	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 GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
Budapest University of Technology and Economics Curated by ChEMBL					Assay Description H-bonding interaction between amino acid residue (Asn-137) of Sodium- and chloride-dependent GABA transporter 1TM3 and compound				J Med Chem 47: 5620-9 (2004) Article DOI: 10.1021/jm040809c BindingDB Entry DOI: 10.7270/Q2TX3G43
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	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 GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
Budapest University of Technology and Economics Curated by ChEMBL					Assay Description H-bonding interaction between amino acid residue (Asn-137) of Sodium- and chloride-dependent GABA transporter 1TM3 and compound				J Med Chem 47: 5620-9 (2004) Article DOI: 10.1021/jm040809c BindingDB Entry DOI: 10.7270/Q2TX3G43
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	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 GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
Budapest University of Technology and Economics Curated by ChEMBL					Assay Description H-bonding interaction between amino acid residue (Asn-137) of Sodium- and chloride-dependent GABA transporter 1TM3 and compound				J Med Chem 47: 5620-9 (2004) Article DOI: 10.1021/jm040809c BindingDB Entry DOI: 10.7270/Q2TX3G43
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM24183 (4-amino-n-[2,3-3H]butyric acid | 4-aminobutanoic a...) Show SMILES NCCCC(O)=O Show InChI InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Budapest University of Technology and Economics Curated by ChEMBL					Assay Description H-bonding interaction between amino acid residue (Asn-137) of Sodium- and chloride-dependent GABA transporter 1TM3 and compound				J Med Chem 47: 5620-9 (2004) Article DOI: 10.1021/jm040809c BindingDB Entry DOI: 10.7270/Q2TX3G43
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM24183 (4-amino-n-[2,3-3H]butyric acid | 4-aminobutanoic a...) Show SMILES NCCCC(O)=O Show InChI InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Budapest University of Technology and Economics Curated by ChEMBL					Assay Description H-bonding interaction between amino acid residue (Asn-137) of Sodium- and chloride-dependent GABA transporter 1TM3 and compound				J Med Chem 47: 5620-9 (2004) Article DOI: 10.1021/jm040809c BindingDB Entry DOI: 10.7270/Q2TX3G43
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM24183 (4-amino-n-[2,3-3H]butyric acid | 4-aminobutanoic a...) Show SMILES NCCCC(O)=O Show InChI InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Budapest University of Technology and Economics Curated by ChEMBL					Assay Description H-bonding interaction between amino acid residue (Asn-137) of Sodium- and chloride-dependent GABA transporter 1TM3 and compound				J Med Chem 47: 5620-9 (2004) Article DOI: 10.1021/jm040809c BindingDB Entry DOI: 10.7270/Q2TX3G43
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50020888 ((S)-Piperidine-3-carboxylic acid | (S)-nipecotic a...) Show SMILES OC(=O)[C@H]1CCCNC1 |r| Show InChI InChI=1S/C6H11NO2/c8-6(9)5-2-1-3-7-4-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.83E+3	n/a	n/a	n/a	n/a	n/a	n/a
Budapest University of Technology and Economics Curated by ChEMBL					Assay Description H-bonding interaction between amino acid residue (Asn-137) of Sodium- and chloride-dependent GABA transporter 1TM3 and compound				J Med Chem 47: 5620-9 (2004) Article DOI: 10.1021/jm040809c BindingDB Entry DOI: 10.7270/Q2TX3G43
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50020888 ((S)-Piperidine-3-carboxylic acid | (S)-nipecotic a...) Show SMILES OC(=O)[C@H]1CCCNC1 |r| Show InChI InChI=1S/C6H11NO2/c8-6(9)5-2-1-3-7-4-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.83E+3	n/a	n/a	n/a	n/a	n/a	n/a
Budapest University of Technology and Economics Curated by ChEMBL					Assay Description H-bonding interaction between amino acid residue (Asn-137) of Sodium- and chloride-dependent GABA transporter 1TM3 and compound				J Med Chem 47: 5620-9 (2004) Article DOI: 10.1021/jm040809c BindingDB Entry DOI: 10.7270/Q2TX3G43
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50020888 ((S)-Piperidine-3-carboxylic acid | (S)-nipecotic a...) Show SMILES OC(=O)[C@H]1CCCNC1 |r| Show InChI InChI=1S/C6H11NO2/c8-6(9)5-2-1-3-7-4-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.83E+3	n/a	n/a	n/a	n/a	n/a	n/a
Budapest University of Technology and Economics Curated by ChEMBL					Assay Description H-bonding interaction between amino acid residue (Asn-137) of Sodium- and chloride-dependent GABA transporter 1TM3 and compound				J Med Chem 47: 5620-9 (2004) Article DOI: 10.1021/jm040809c BindingDB Entry DOI: 10.7270/Q2TX3G43
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50020883 ((R)-Piperidine-3-carboxylic acid | (R)-nipecotic a...) Show SMILES OC(=O)[C@@H]1CCCNC1 |r| 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 GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Budapest University of Technology and Economics Curated by ChEMBL					Assay Description H-bonding interaction between amino acid residue (Asn-137) of Sodium- and chloride-dependent GABA transporter 1TM3 and compound				J Med Chem 47: 5620-9 (2004) Article DOI: 10.1021/jm040809c BindingDB Entry DOI: 10.7270/Q2TX3G43
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50020883 ((R)-Piperidine-3-carboxylic acid | (R)-nipecotic a...) Show SMILES OC(=O)[C@@H]1CCCNC1 |r| 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 GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.95E+3	n/a	n/a	n/a	n/a	n/a	n/a
Budapest University of Technology and Economics Curated by ChEMBL					Assay Description H-bonding interaction between amino acid residue (Asn-137) of Sodium- and chloride-dependent GABA transporter 1TM3 and compound				J Med Chem 47: 5620-9 (2004) Article DOI: 10.1021/jm040809c BindingDB Entry DOI: 10.7270/Q2TX3G43
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50020883 ((R)-Piperidine-3-carboxylic acid | (R)-nipecotic a...) Show SMILES OC(=O)[C@@H]1CCCNC1 |r| 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 GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.95E+3	n/a	n/a	n/a	n/a	n/a	n/a
Budapest University of Technology and Economics Curated by ChEMBL					Assay Description H-bonding interaction between amino acid residue (Asn-137) of Sodium- and chloride-dependent GABA transporter 1TM3 and compound				J Med Chem 47: 5620-9 (2004) Article DOI: 10.1021/jm040809c BindingDB Entry DOI: 10.7270/Q2TX3G43
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50020883 ((R)-Piperidine-3-carboxylic acid | (R)-nipecotic a...) Show SMILES OC(=O)[C@@H]1CCCNC1 |r| 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 GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.95E+3	n/a	n/a	n/a	n/a	n/a	n/a
Budapest University of Technology and Economics Curated by ChEMBL					Assay Description H-bonding interaction between amino acid residue (Asn-137) of Sodium- and chloride-dependent GABA transporter 1TM3 and compound				J Med Chem 47: 5620-9 (2004) Article DOI: 10.1021/jm040809c BindingDB Entry DOI: 10.7270/Q2TX3G43
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50020888 ((S)-Piperidine-3-carboxylic acid | (S)-nipecotic a...) Show SMILES OC(=O)[C@H]1CCCNC1 |r| Show InChI InChI=1S/C6H11NO2/c8-6(9)5-2-1-3-7-4-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Budapest University of Technology and Economics Curated by ChEMBL					Assay Description H-bonding interaction between amino acid residue (Ser-133) of Sodium- and chloride-dependent GABA transporter 1TM3 and compound was determined				J Med Chem 47: 5620-9 (2004) Article DOI: 10.1021/jm040809c BindingDB Entry DOI: 10.7270/Q2TX3G43
					More data for this Ligand-Target Pair
Lysyl oxidase homolog 4 (Homo sapiens)	BDBM50463622 (CHEMBL4245637) Show SMILES CC1C(C)=NN(C1=O)c1ccccc1 |c:3| Show InChI InChI=1S/C11H12N2O/c1-8-9(2)12-13(11(8)14)10-6-4-3-5-7-10/h3-8H,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hungarian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human LOXL4 expressed in baculovirus infected insect cells using diaminopentane as substrate preincubated for 30 mins follo...				Bioorg Med Chem Lett 28: 3113-3118 (2018) Article DOI: 10.1016/j.bmcl.2018.07.001 BindingDB Entry DOI: 10.7270/Q28P6366
					More data for this Ligand-Target Pair
Lysyl oxidase homolog 2 (Homo sapiens (Human))	BDBM50463622 (CHEMBL4245637) Show SMILES CC1C(C)=NN(C1=O)c1ccccc1 |c:3| Show InChI InChI=1S/C11H12N2O/c1-8-9(2)12-13(11(8)14)10-6-4-3-5-7-10/h3-8H,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hungarian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant LOXL2 (unknown origin) expressed in NS0 cells using diaminopentane as substrate preincubated for 30 mins followed by substr...				Bioorg Med Chem Lett 28: 3113-3118 (2018) Article DOI: 10.1016/j.bmcl.2018.07.001 BindingDB Entry DOI: 10.7270/Q28P6366
					More data for this Ligand-Target Pair
Lysyl oxidase homolog 3 (Homo sapiens (Human))	BDBM50463620 (CHEMBL4240937) Show SMILES CCN1\C(C=Cc2ccccc12)=C1/C(=O)N(N=C1Nc1ccccc1)c1ccccc1 |c:4,18| Show InChI InChI=1S/C26H22N4O/c1-2-29-22-16-10-9-11-19(22)17-18-23(29)24-25(27-20-12-5-3-6-13-20)28-30(26(24)31)21-14-7-4-8-15-21/h3-18H,2H2,1H3,(H,27,28)/b24-23-	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hungarian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human LOXL3 expressed in CHO cells using diaminopentane as substrate preincubated for 30 mins followed by substrate additio...				Bioorg Med Chem Lett 28: 3113-3118 (2018) Article DOI: 10.1016/j.bmcl.2018.07.001 BindingDB Entry DOI: 10.7270/Q28P6366
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50155855 ((Z)-4-(Ethoxycarbonylmethyl-methyl-amino)-3-phenyl...) Show SMILES CCOC(=O)CN(C)C(C)C(=C/C(=O)OCC)\c1ccccc1 Show InChI InChI=1S/C18H25NO4/c1-5-22-17(20)12-16(15-10-8-7-9-11-15)14(3)19(4)13-18(21)23-6-2/h7-12,14H,5-6,13H2,1-4H3/b16-12+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
Budapest University of Technology and Economics Curated by ChEMBL					Assay Description H-bonding interaction between amino acid residue (Ser-133) of Sodium- and chloride-dependent GABA transporter 1TM3 and compound was determined				J Med Chem 47: 5620-9 (2004) Article DOI: 10.1021/jm040809c BindingDB Entry DOI: 10.7270/Q2TX3G43
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50155855 ((Z)-4-(Ethoxycarbonylmethyl-methyl-amino)-3-phenyl...) Show SMILES CCOC(=O)CN(C)C(C)C(=C/C(=O)OCC)\c1ccccc1 Show InChI InChI=1S/C18H25NO4/c1-5-22-17(20)12-16(15-10-8-7-9-11-15)14(3)19(4)13-18(21)23-6-2/h7-12,14H,5-6,13H2,1-4H3/b16-12+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Budapest University of Technology and Economics Curated by ChEMBL					Assay Description H-bonding interaction between amino acid residue (Ser-133) of Sodium- and chloride-dependent GABA transporter 1TM3 and compound was determined				J Med Chem 47: 5620-9 (2004) Article DOI: 10.1021/jm040809c BindingDB Entry DOI: 10.7270/Q2TX3G43
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50155855 ((Z)-4-(Ethoxycarbonylmethyl-methyl-amino)-3-phenyl...) Show SMILES CCOC(=O)CN(C)C(C)C(=C/C(=O)OCC)\c1ccccc1 Show InChI InChI=1S/C18H25NO4/c1-5-22-17(20)12-16(15-10-8-7-9-11-15)14(3)19(4)13-18(21)23-6-2/h7-12,14H,5-6,13H2,1-4H3/b16-12+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Budapest University of Technology and Economics Curated by ChEMBL					Assay Description H-bonding interaction between amino acid residue (Ser-133) of Sodium- and chloride-dependent GABA transporter 1TM3 and compound was determined				J Med Chem 47: 5620-9 (2004) Article DOI: 10.1021/jm040809c BindingDB Entry DOI: 10.7270/Q2TX3G43
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50155855 ((Z)-4-(Ethoxycarbonylmethyl-methyl-amino)-3-phenyl...) Show SMILES CCOC(=O)CN(C)C(C)C(=C/C(=O)OCC)\c1ccccc1 Show InChI InChI=1S/C18H25NO4/c1-5-22-17(20)12-16(15-10-8-7-9-11-15)14(3)19(4)13-18(21)23-6-2/h7-12,14H,5-6,13H2,1-4H3/b16-12+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Budapest University of Technology and Economics Curated by ChEMBL					Assay Description H-bonding interaction between amino acid residue (Ser-133) of Sodium- and chloride-dependent GABA transporter 1TM3 and compound was determined				J Med Chem 47: 5620-9 (2004) Article DOI: 10.1021/jm040809c BindingDB Entry DOI: 10.7270/Q2TX3G43
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM24183 (4-amino-n-[2,3-3H]butyric acid | 4-aminobutanoic a...) Show SMILES NCCCC(O)=O Show InChI InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Budapest University of Technology and Economics Curated by ChEMBL					Assay Description H-bonding interaction between amino acid residue (Asn-137) of Sodium- and chloride-dependent GABA transporter 1TM3 and compound				J Med Chem 47: 5620-9 (2004) Article DOI: 10.1021/jm040809c BindingDB Entry DOI: 10.7270/Q2TX3G43
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	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 GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Budapest University of Technology and Economics Curated by ChEMBL					Assay Description H-bonding interaction between amino acid residue (Tyr-140) of Sodium- and chloride-dependent GABA transporter 1TM3 and compound was determined				J Med Chem 47: 5620-9 (2004) Article DOI: 10.1021/jm040809c BindingDB Entry DOI: 10.7270/Q2TX3G43
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	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 GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Budapest University of Technology and Economics Curated by ChEMBL					Assay Description H-bonding interaction between amino acid residue (Tyr-140) of Sodium- and chloride-dependent GABA transporter 1TM3 and compound was determined				J Med Chem 47: 5620-9 (2004) Article DOI: 10.1021/jm040809c BindingDB Entry DOI: 10.7270/Q2TX3G43
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	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 GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Budapest University of Technology and Economics Curated by ChEMBL					Assay Description H-bonding interaction between amino acid residue (Tyr-140) of Sodium- and chloride-dependent GABA transporter 1TM3 and compound was determined				J Med Chem 47: 5620-9 (2004) Article DOI: 10.1021/jm040809c BindingDB Entry DOI: 10.7270/Q2TX3G43
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	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 GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.52E+3	n/a	n/a	n/a	n/a	n/a	n/a
Budapest University of Technology and Economics Curated by ChEMBL					Assay Description H-bonding interaction between amino acid residue (Asn-137) of Sodium- and chloride-dependent GABA transporter 1TM3 and compound				J Med Chem 47: 5620-9 (2004) Article DOI: 10.1021/jm040809c BindingDB Entry DOI: 10.7270/Q2TX3G43
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50020883 ((R)-Piperidine-3-carboxylic acid | (R)-nipecotic a...) Show SMILES OC(=O)[C@@H]1CCCNC1 |r| 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 GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.56E+3	n/a	n/a	n/a	n/a	n/a	n/a
Budapest University of Technology and Economics Curated by ChEMBL					Assay Description H-bonding interaction between amino acid residue (Thr-89) of Sodium- and chloride-dependent GABA transporter 1TM2 and compound				J Med Chem 47: 5620-9 (2004) Article DOI: 10.1021/jm040809c BindingDB Entry DOI: 10.7270/Q2TX3G43
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50020883 ((R)-Piperidine-3-carboxylic acid | (R)-nipecotic a...) Show SMILES OC(=O)[C@@H]1CCCNC1 |r| 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 GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.56E+3	n/a	n/a	n/a	n/a	n/a	n/a
Budapest University of Technology and Economics Curated by ChEMBL					Assay Description H-bonding interaction between amino acid residue (Thr-89) of Sodium- and chloride-dependent GABA transporter 1TM2 and compound				J Med Chem 47: 5620-9 (2004) Article DOI: 10.1021/jm040809c BindingDB Entry DOI: 10.7270/Q2TX3G43
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM90787 (1,2,3,6-tetrahydropyridine-5-carboxylic acid;hydro...) Show SMILES OC(=O)C1=CCCNC1 |t:3| 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 GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
Budapest University of Technology and Economics Curated by ChEMBL					Assay Description H-bonding interaction between amino acid residue (Tyr-140) of Sodium- and chloride-dependent GABA transporter 1TM3 and compound was determined				J Med Chem 47: 5620-9 (2004) Article DOI: 10.1021/jm040809c BindingDB Entry DOI: 10.7270/Q2TX3G43
					More data for this Ligand-Target Pair

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