Compile Data Set for Download or QSAR

Found 313 hits with Last Name = 'alagille' and Initial = 'd'   

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
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50160893 (8-Methyl-3-(4-thiophen-3-yl-phenyl)-8-aza-bicyclo[...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccsc1)N2C |TLB:23:22:4.10.9:6.7,THB:2:4:22:6.7,11:10:22:6.7| Show InChI InChI=1S/C20H23NO2S/c1-21-16-7-8-18(21)19(20(22)23-2)17(11-16)14-5-3-13(4-6-14)15-9-10-24-12-15/h3-6,9-10,12,16-19H,7-8,11H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from serotonin transporter of rat cerebral cortex				Bioorg Med Chem Lett 15: 1131-3 (2005) Article DOI: 10.1016/j.bmcl.2004.12.014 BindingDB Entry DOI: 10.7270/Q2PK0GXK
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50345553 (3-(2-(2-methylthiazol-4-yl)ethynyl)-5-bromobenzoni...) Show SMILES Cc1nc(cs1)C#Cc1cc(Br)cc(c1)C#N Show InChI InChI=1S/C13H7BrN2S/c1-9-16-13(8-17-9)3-2-10-4-11(7-15)6-12(14)5-10/h4-6,8H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.106	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Neurodegenerative Disorders Curated by ChEMBL					Assay Description Displacement of [3H]methoxy-PEPY from rat mGluR5 expressed in human HEK-293 cells by liquid scintillation counting				Bioorg Med Chem Lett 21: 3243-7 (2011) Article DOI: 10.1016/j.bmcl.2011.04.047 BindingDB Entry DOI: 10.7270/Q290244M
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50160892 (3-(4-Thiophen-2-yl-phenyl)-8-aza-bicyclo[3.2.1]oct...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccs1)N2 |THB:2:4:22:6.7,11:10:22:6.7| Show InChI InChI=1S/C19H21NO2S/c1-22-19(21)18-15(11-14-8-9-16(18)20-14)12-4-6-13(7-5-12)17-3-2-10-23-17/h2-7,10,14-16,18,20H,8-9,11H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from serotonin transporter of rat cerebral cortex				Bioorg Med Chem Lett 15: 1131-3 (2005) Article DOI: 10.1016/j.bmcl.2004.12.014 BindingDB Entry DOI: 10.7270/Q2PK0GXK
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50345552 (3-(2-(2-methylthiazol-4-yl)ethynyl)-5-chlorobenzon...) Show SMILES Cc1nc(cs1)C#Cc1cc(Cl)cc(c1)C#N Show InChI InChI=1S/C13H7ClN2S/c1-9-16-13(8-17-9)3-2-10-4-11(7-15)6-12(14)5-10/h4-6,8H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.127	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Neurodegenerative Disorders Curated by ChEMBL					Assay Description Displacement of [3H]methoxy-PEPY from rat mGluR5 expressed in human HEK-293 cells by liquid scintillation counting				Bioorg Med Chem Lett 21: 3243-7 (2011) Article DOI: 10.1016/j.bmcl.2011.04.047 BindingDB Entry DOI: 10.7270/Q290244M
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50175644 (CHEMBL200044 | methyl 3-(4-(furan-2-yl)phenyl)-8-a...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccco1)N2 |THB:2:4:6.7:22,11:10:6.7:22| Show InChI InChI=1S/C19H21NO3/c1-22-19(21)18-15(11-14-8-9-16(18)20-14)12-4-6-13(7-5-12)17-3-2-10-23-17/h2-7,10,14-16,18,20H,8-9,11H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from SERT in rat frontoparietal cerebral cortex				Bioorg Med Chem Lett 16: 217-20 (2005) Article DOI: 10.1016/j.bmcl.2005.09.016 BindingDB Entry DOI: 10.7270/Q2R210Z2
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50160894 (8-Methyl-3-(4-thiophen-2-yl-phenyl)-8-aza-bicyclo[...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccs1)N2C |TLB:23:22:4.10.9:6.7,THB:2:4:22:6.7,11:10:22:6.7| Show InChI InChI=1S/C20H23NO2S/c1-21-15-9-10-17(21)19(20(22)23-2)16(12-15)13-5-7-14(8-6-13)18-4-3-11-24-18/h3-8,11,15-17,19H,9-10,12H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from serotonin transporter of rat cerebral cortex				Bioorg Med Chem Lett 15: 1131-3 (2005) Article DOI: 10.1016/j.bmcl.2004.12.014 BindingDB Entry DOI: 10.7270/Q2PK0GXK
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50345572 (3-(2-(pyridin-2-yl)ethynyl)-5-fluorobenzonitrile |...) Show SMILES Fc1cc(cc(c1)C#Cc1ccccn1)C#N Show InChI InChI=1S/C14H7FN2/c15-13-8-11(7-12(9-13)10-16)4-5-14-3-1-2-6-17-14/h1-3,6-9H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Neurodegenerative Disorders Curated by ChEMBL					Assay Description Displacement of [3H]methoxy-PEPY from rat mGluR5 expressed in human HEK-293 cells by liquid scintillation counting				Bioorg Med Chem Lett 21: 3243-7 (2011) Article DOI: 10.1016/j.bmcl.2011.04.047 BindingDB Entry DOI: 10.7270/Q290244M
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50160898 (3-(4-Thiophen-3-yl-phenyl)-8-aza-bicyclo[3.2.1]oct...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccsc1)N2 |THB:2:4:22:6.7,11:10:22:6.7| Show InChI InChI=1S/C19H21NO2S/c1-22-19(21)18-16(10-15-6-7-17(18)20-15)13-4-2-12(3-5-13)14-8-9-23-11-14/h2-5,8-9,11,15-18,20H,6-7,10H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from serotonin transporter of rat cerebral cortex				Bioorg Med Chem Lett 15: 1131-3 (2005) Article DOI: 10.1016/j.bmcl.2004.12.014 BindingDB Entry DOI: 10.7270/Q2PK0GXK
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50345555 (3-(2-(2-methylthiazol-4-yl)ethynyl)-5-nitrofluorob...) Show SMILES Cc1nc(cs1)C#Cc1cc(F)cc(c1)[N+]([O-])=O Show InChI InChI=1S/C12H7FN2O2S/c1-8-14-11(7-18-8)3-2-9-4-10(13)6-12(5-9)15(16)17/h4-7H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Neurodegenerative Disorders Curated by ChEMBL					Assay Description Displacement of [3H]methoxy-PEPY from rat mGluR5 expressed in human HEK-293 cells by liquid scintillation counting				Bioorg Med Chem Lett 21: 3243-7 (2011) Article DOI: 10.1016/j.bmcl.2011.04.047 BindingDB Entry DOI: 10.7270/Q290244M
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50175634 (CHEMBL200698 | methyl 3-(4-(furan-3-yl)phenyl)-8-m...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccoc1)N2C |TLB:23:22:6.7:4.10.9,THB:2:4:6.7:22,11:10:6.7:22| Show InChI InChI=1S/C20H23NO3/c1-21-16-7-8-18(21)19(20(22)23-2)17(11-16)14-5-3-13(4-6-14)15-9-10-24-12-15/h3-6,9-10,12,16-19H,7-8,11H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from SERT in rat frontoparietal cerebral cortex				Bioorg Med Chem Lett 16: 217-20 (2005) Article DOI: 10.1016/j.bmcl.2005.09.016 BindingDB Entry DOI: 10.7270/Q2R210Z2
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50345550 (3-(2-(2-Methylthiazol-4-yl)ethynyl)-5-nitrobenzoni...) Show SMILES Cc1nc(cs1)C#Cc1cc(cc(c1)[N+]([O-])=O)C#N Show InChI InChI=1S/C13H7N3O2S/c1-9-15-12(8-19-9)3-2-10-4-11(7-14)6-13(5-10)16(17)18/h4-6,8H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Neurodegenerative Disorders Curated by ChEMBL					Assay Description Displacement of [3H]methoxy-PEPY from rat mGluR5 expressed in human HEK-293 cells by liquid scintillation counting				Bioorg Med Chem Lett 21: 3243-7 (2011) Article DOI: 10.1016/j.bmcl.2011.04.047 BindingDB Entry DOI: 10.7270/Q290244M
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50258612 (3-Fluoro-5-cyano-1-(2-methylthiazol-4-ylethynyl)be...) Show SMILES Cc1nc(cs1)C#Cc1cc(F)cc(c1)C#N Show InChI InChI=1S/C13H7FN2S/c1-9-16-13(8-17-9)3-2-10-4-11(7-15)6-12(14)5-10/h4-6,8H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Neurodegenerative Disorders Curated by ChEMBL					Assay Description Displacement of [3H]methoxy-PEPY from rat mGluR5 expressed in human HEK-293 cells by liquid scintillation counting				Bioorg Med Chem Lett 21: 3243-7 (2011) Article DOI: 10.1016/j.bmcl.2011.04.047 BindingDB Entry DOI: 10.7270/Q290244M
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50160895 (3-[4-(5-Bromo-thiophen-2-yl)-phenyl]-8-methyl-8-az...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccc(Br)s1)N2C |TLB:24:23:4.10.9:6.7,THB:2:4:23:6.7,11:10:23:6.7| Show InChI InChI=1S/C20H22BrNO2S/c1-22-14-7-8-16(22)19(20(23)24-2)15(11-14)12-3-5-13(6-4-12)17-9-10-18(21)25-17/h3-6,9-10,14-16,19H,7-8,11H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from serotonin transporter of rat cerebral cortex				Bioorg Med Chem Lett 15: 1131-3 (2005) Article DOI: 10.1016/j.bmcl.2004.12.014 BindingDB Entry DOI: 10.7270/Q2PK0GXK
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50175646 (3-(3',5'-difluoro-biphenyl-4-yl)-8-methyl-8-aza-bi...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cc(F)cc(F)c1)N2C |TLB:26:25:6.7:4.10.9,THB:2:4:6.7:25,11:10:6.7:25| Show InChI InChI=1S/C22H23F2NO2/c1-25-18-7-8-20(25)21(22(26)27-2)19(12-18)14-5-3-13(4-6-14)15-9-16(23)11-17(24)10-15/h3-6,9-11,18-21H,7-8,12H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from SERT in rat frontoparietal cerebral cortex				Bioorg Med Chem Lett 16: 217-20 (2005) Article DOI: 10.1016/j.bmcl.2005.09.016 BindingDB Entry DOI: 10.7270/Q2R210Z2
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50010195 ((3S,5R)-methyl 3-(4-iodophenyl)-8-methyl-8-aza-bic...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2C |TLB:19:18:4.10.9:6.7,THB:2:4:18:6.7| Show InChI InChI=1S/C16H20INO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from serotonin transporter of rat cerebral cortex				Bioorg Med Chem Lett 15: 1131-3 (2005) Article DOI: 10.1016/j.bmcl.2004.12.014 BindingDB Entry DOI: 10.7270/Q2PK0GXK
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50175640 (3-(3'-fluoro-biphenyl-4-yl)-8-methyl-8-aza-bicyclo...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccc(F)c1)N2C |TLB:25:24:6.7:4.10.9,THB:2:4:6.7:24,11:10:6.7:24| Show InChI InChI=1S/C22H24FNO2/c1-24-18-10-11-20(24)21(22(25)26-2)19(13-18)15-8-6-14(7-9-15)16-4-3-5-17(23)12-16/h3-9,12,18-21H,10-11,13H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from SERT in rat frontoparietal cerebral cortex				Bioorg Med Chem Lett 16: 217-20 (2005) Article DOI: 10.1016/j.bmcl.2005.09.016 BindingDB Entry DOI: 10.7270/Q2R210Z2
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50160889 (3-[4-(5-Chloro-thiophen-2-yl)-phenyl]-8-methyl-8-a...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccc(Cl)s1)N2C |TLB:24:23:4.10.9:6.7,THB:2:4:23:6.7,11:10:23:6.7| Show InChI InChI=1S/C20H22ClNO2S/c1-22-14-7-8-16(22)19(20(23)24-2)15(11-14)12-3-5-13(6-4-12)17-9-10-18(21)25-17/h3-6,9-10,14-16,19H,7-8,11H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from serotonin transporter of rat cerebral cortex				Bioorg Med Chem Lett 15: 1131-3 (2005) Article DOI: 10.1016/j.bmcl.2004.12.014 BindingDB Entry DOI: 10.7270/Q2PK0GXK
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50345558 (3-(2-(2-methylthiazol-4-yl)ethynyl)-1,5-dibromoben...) Show SMILES Cc1nc(cs1)C#Cc1cc(Br)cc(Br)c1 Show InChI InChI=1S/C12H7Br2NS/c1-8-15-12(7-16-8)3-2-9-4-10(13)6-11(14)5-9/h4-7H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Neurodegenerative Disorders Curated by ChEMBL					Assay Description Displacement of [3H]methoxy-PEPY from rat mGluR5 expressed in human HEK-293 cells by liquid scintillation counting				Bioorg Med Chem Lett 21: 3243-7 (2011) Article DOI: 10.1016/j.bmcl.2011.04.047 BindingDB Entry DOI: 10.7270/Q290244M
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50198230 ((S)-2-((S)-(2-iodophenoxy)(phenyl)methyl)morpholin...) Show SMILES Ic1ccccc1O[C@H]([C@@H]1CNCCO1)c1ccccc1 Show InChI InChI=1S/C17H18INO2/c18-14-8-4-5-9-15(14)21-17(13-6-2-1-3-7-13)16-12-19-10-11-20-16/h1-9,16-17,19H,10-12H2/t16-,17-/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.840	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Degenerative Diseases Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from NET in rat brain membranes				Bioorg Med Chem Lett 17: 533-7 (2007) Article DOI: 10.1016/j.bmcl.2006.10.018 BindingDB Entry DOI: 10.7270/Q2WS8SX8
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50345551 (3-(2-(2-methylthiazol-4-yl)ethynyl)-5-nitrobromobe...) Show SMILES Cc1nc(cs1)C#Cc1cc(Br)cc(c1)[N+]([O-])=O Show InChI InChI=1S/C12H7BrN2O2S/c1-8-14-11(7-18-8)3-2-9-4-10(13)6-12(5-9)15(16)17/h4-7H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.930	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Neurodegenerative Disorders Curated by ChEMBL					Assay Description Displacement of [3H]methoxy-PEPY from rat mGluR5 expressed in human HEK-293 cells by liquid scintillation counting				Bioorg Med Chem Lett 21: 3243-7 (2011) Article DOI: 10.1016/j.bmcl.2011.04.047 BindingDB Entry DOI: 10.7270/Q290244M
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50010195 ((3S,5R)-methyl 3-(4-iodophenyl)-8-methyl-8-aza-bic...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2C |TLB:19:18:4.10.9:6.7,THB:2:4:18:6.7| Show InChI InChI=1S/C16H20INO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.960	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Displacement of [3H]GBR-12935 from dopamine transporter of rat caudate-putamen				Bioorg Med Chem Lett 15: 1131-3 (2005) Article DOI: 10.1016/j.bmcl.2004.12.014 BindingDB Entry DOI: 10.7270/Q2PK0GXK
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50345557 (3-(2-(2-methylthiazol-4-yl)ethynyl)-5-bromofluorob...) Show SMILES Cc1nc(cs1)C#Cc1cc(F)cc(Br)c1 Show InChI InChI=1S/C12H7BrFNS/c1-8-15-12(7-16-8)3-2-9-4-10(13)6-11(14)5-9/h4-7H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.06	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Neurodegenerative Disorders Curated by ChEMBL					Assay Description Displacement of [3H]methoxy-PEPY from rat mGluR5 expressed in human HEK-293 cells by liquid scintillation counting				Bioorg Med Chem Lett 21: 3243-7 (2011) Article DOI: 10.1016/j.bmcl.2011.04.047 BindingDB Entry DOI: 10.7270/Q290244M
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50175648 (CHEMBL199704 | methyl 3-(4-(furan-2-yl)phenyl)-8-m...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccco1)N2C |TLB:23:22:6.7:4.10.9,THB:2:4:6.7:22,11:10:6.7:22| Show InChI InChI=1S/C20H23NO3/c1-21-15-9-10-17(21)19(20(22)23-2)16(12-15)13-5-7-14(8-6-13)18-4-3-11-24-18/h3-8,11,15-17,19H,9-10,12H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from SERT in rat frontoparietal cerebral cortex				Bioorg Med Chem Lett 16: 217-20 (2005) Article DOI: 10.1016/j.bmcl.2005.09.016 BindingDB Entry DOI: 10.7270/Q2R210Z2
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50175642 (CHEMBL199743 | methyl 3-(4-(5-methoxypyridin-3-yl)...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cncc(OC)c1)N2 |THB:2:4:6.7:25,11:10:6.7:25| Show InChI InChI=1S/C21H24N2O3/c1-25-17-9-15(11-22-12-17)13-3-5-14(6-4-13)18-10-16-7-8-19(23-16)20(18)21(24)26-2/h3-6,9,11-12,16,18-20,23H,7-8,10H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from SERT in rat frontoparietal cerebral cortex				Bioorg Med Chem Lett 16: 217-20 (2005) Article DOI: 10.1016/j.bmcl.2005.09.016 BindingDB Entry DOI: 10.7270/Q2R210Z2
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM25870 (1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3...) Show SMILES CN(C)CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 Show InChI InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from serotonin transporter of rat cerebral cortex				Bioorg Med Chem Lett 15: 1131-3 (2005) Article DOI: 10.1016/j.bmcl.2004.12.014 BindingDB Entry DOI: 10.7270/Q2PK0GXK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50175647 (CHEMBL382943 | methyl 8-methyl-3-(4-(thiazol-2-yl)...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1nccs1)N2C |TLB:23:22:6.7:4.10.9,THB:2:4:6.7:22,11:10:6.7:22| Show InChI InChI=1S/C19H22N2O2S/c1-21-14-7-8-16(21)17(19(22)23-2)15(11-14)12-3-5-13(6-4-12)18-20-9-10-24-18/h3-6,9-10,14-17H,7-8,11H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.67	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from SERT in rat frontoparietal cerebral cortex				Bioorg Med Chem Lett 16: 217-20 (2005) Article DOI: 10.1016/j.bmcl.2005.09.016 BindingDB Entry DOI: 10.7270/Q2R210Z2
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50160633 (2-methyl-6-[(5-phenylpyridin-3-yl)ethynyl]pyridine...) Show SMILES Cc1cccc(n1)C#Cc1cncc(c1)-c1ccccc1 Show InChI InChI=1S/C19H14N2/c1-15-6-5-9-19(21-15)11-10-16-12-18(14-20-13-16)17-7-3-2-4-8-17/h2-9,12-14H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description In vitro binding affinity of compound towards rat metabotropic glutamate receptor 5 was determined using inositol phosphate hydrolysis assay				Bioorg Med Chem Lett 15: 945-9 (2005) Article DOI: 10.1016/j.bmcl.2004.12.047 BindingDB Entry DOI: 10.7270/Q2QN6681
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50345556 (3-(2-(2-methylthiazol-4-yl)ethynyl)-5-nitroiodoben...) Show SMILES Cc1nc(cs1)C#Cc1cc(I)cc(c1)[N+]([O-])=O Show InChI InChI=1S/C12H7IN2O2S/c1-8-14-11(7-18-8)3-2-9-4-10(13)6-12(5-9)15(16)17/h4-7H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.84	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Neurodegenerative Disorders Curated by ChEMBL					Assay Description Displacement of [3H]methoxy-PEPY from rat mGluR5 expressed in human HEK-293 cells by liquid scintillation counting				Bioorg Med Chem Lett 21: 3243-7 (2011) Article DOI: 10.1016/j.bmcl.2011.04.047 BindingDB Entry DOI: 10.7270/Q290244M
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50345554 (3-(2-(2-methylthiazol-4-yl)ethynyl)-5-iodobenzonit...) Show SMILES Cc1nc(cs1)C#Cc1cc(I)cc(c1)C#N Show InChI InChI=1S/C13H7IN2S/c1-9-16-13(8-17-9)3-2-10-4-11(7-15)6-12(14)5-10/h4-6,8H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Neurodegenerative Disorders Curated by ChEMBL					Assay Description Displacement of [3H]methoxy-PEPY from rat mGluR5 expressed in human HEK-293 cells by liquid scintillation counting				Bioorg Med Chem Lett 21: 3243-7 (2011) Article DOI: 10.1016/j.bmcl.2011.04.047 BindingDB Entry DOI: 10.7270/Q290244M
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50198226 (2-((2-iodophenoxy)(phenyl)methyl)morpholine | CHEM...) Show SMILES Ic1ccccc1OC(C1CNCCO1)c1ccccc1 |w:9.10,8.8| Show InChI InChI=1S/C17H18INO2/c18-14-8-4-5-9-15(14)21-17(13-6-2-1-3-7-13)16-12-19-10-11-20-16/h1-9,16-17,19H,10-12H2	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Degenerative Diseases Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from NET in rat brain membranes				Bioorg Med Chem Lett 17: 533-7 (2007) Article DOI: 10.1016/j.bmcl.2006.10.018 BindingDB Entry DOI: 10.7270/Q2WS8SX8
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50010195 ((3S,5R)-methyl 3-(4-iodophenyl)-8-methyl-8-aza-bic...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2C |TLB:19:18:4.10.9:6.7,THB:2:4:18:6.7| Show InChI InChI=1S/C16H20INO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from norepinephrine transporter of rat cerebral cortex				Bioorg Med Chem Lett 15: 1131-3 (2005) Article DOI: 10.1016/j.bmcl.2004.12.014 BindingDB Entry DOI: 10.7270/Q2PK0GXK
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50175643 (CHEMBL199634 | methyl 8-methyl-3-(4-(pyridin-3-yl)...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccnc1)N2C |TLB:24:23:6.7:4.10.9,THB:2:4:6.7:23,11:10:6.7:23| Show InChI InChI=1S/C21H24N2O2/c1-23-17-9-10-19(23)20(21(24)25-2)18(12-17)15-7-5-14(6-8-15)16-4-3-11-22-13-16/h3-8,11,13,17-20H,9-10,12H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from SERT in rat frontoparietal cerebral cortex				Bioorg Med Chem Lett 16: 217-20 (2005) Article DOI: 10.1016/j.bmcl.2005.09.016 BindingDB Entry DOI: 10.7270/Q2R210Z2
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50175644 (CHEMBL200044 | methyl 3-(4-(furan-2-yl)phenyl)-8-a...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccco1)N2 |THB:2:4:6.7:22,11:10:6.7:22| Show InChI InChI=1S/C19H21NO3/c1-22-19(21)18-15(11-14-8-9-16(18)20-14)12-4-6-13(7-5-12)17-3-2-10-23-17/h2-7,10,14-16,18,20H,8-9,11H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.76	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Displacement of [3H]GBR-12935 from DAT in rat rat frontoparietal cerebral cortex				Bioorg Med Chem Lett 16: 217-20 (2005) Article DOI: 10.1016/j.bmcl.2005.09.016 BindingDB Entry DOI: 10.7270/Q2R210Z2
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50175639 (CHEMBL199850 | methyl 3-(4-(5-methoxypyridin-3-yl)...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cncc(OC)c1)N2C |TLB:26:25:6.7:4.10.9,THB:2:4:6.7:25,11:10:6.7:25| Show InChI InChI=1S/C22H26N2O3/c1-24-17-8-9-20(24)21(22(25)27-3)19(11-17)15-6-4-14(5-7-15)16-10-18(26-2)13-23-12-16/h4-7,10,12-13,17,19-21H,8-9,11H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.91	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from SERT in rat frontoparietal cerebral cortex				Bioorg Med Chem Lett 16: 217-20 (2005) Article DOI: 10.1016/j.bmcl.2005.09.016 BindingDB Entry DOI: 10.7270/Q2R210Z2
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50160897 (3-[4-(4-Bromo-thiophen-3-yl)-phenyl]-8-methyl-8-az...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cscc1Br)N2C |TLB:24:23:4.10.9:6.7,THB:2:4:23:6.7,11:10:23:6.7| Show InChI InChI=1S/C20H22BrNO2S/c1-22-14-7-8-18(22)19(20(23)24-2)15(9-14)12-3-5-13(6-4-12)16-10-25-11-17(16)21/h3-6,10-11,14-15,18-19H,7-9H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.02	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from serotonin transporter of rat cerebral cortex				Bioorg Med Chem Lett 15: 1131-3 (2005) Article DOI: 10.1016/j.bmcl.2004.12.014 BindingDB Entry DOI: 10.7270/Q2PK0GXK
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50160889 (3-[4-(5-Chloro-thiophen-2-yl)-phenyl]-8-methyl-8-a...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccc(Cl)s1)N2C |TLB:24:23:4.10.9:6.7,THB:2:4:23:6.7,11:10:23:6.7| Show InChI InChI=1S/C20H22ClNO2S/c1-22-14-7-8-16(22)19(20(23)24-2)15(11-14)12-3-5-13(6-4-12)17-9-10-18(21)25-17/h3-6,9-10,14-16,19H,7-8,11H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Displacement of [3H]GBR-12935 from dopamine transporter of rat caudate-putamen				Bioorg Med Chem Lett 15: 1131-3 (2005) Article DOI: 10.1016/j.bmcl.2004.12.014 BindingDB Entry DOI: 10.7270/Q2PK0GXK
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50160890 (3-[4-(5-Iodo-thiophen-2-yl)-phenyl]-8-methyl-8-aza...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccc(I)s1)N2C |TLB:24:23:4.10.9:6.7,THB:2:4:23:6.7,11:10:23:6.7| Show InChI InChI=1S/C20H22INO2S/c1-22-14-7-8-16(22)19(20(23)24-2)15(11-14)12-3-5-13(6-4-12)17-9-10-18(21)25-17/h3-6,9-10,14-16,19H,7-8,11H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from serotonin transporter of rat cerebral cortex				Bioorg Med Chem Lett 15: 1131-3 (2005) Article DOI: 10.1016/j.bmcl.2004.12.014 BindingDB Entry DOI: 10.7270/Q2PK0GXK
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50175636 (CHEMBL381418 | methyl 3-(4-(thiazol-2-yl)phenyl)-8...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1nccs1)N2 |THB:2:4:6.7:22,11:10:6.7:22| Show InChI InChI=1S/C18H20N2O2S/c1-22-18(21)16-14(10-13-6-7-15(16)20-13)11-2-4-12(5-3-11)17-19-8-9-23-17/h2-5,8-9,13-16,20H,6-7,10H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from SERT in rat frontoparietal cerebral cortex				Bioorg Med Chem Lett 16: 217-20 (2005) Article DOI: 10.1016/j.bmcl.2005.09.016 BindingDB Entry DOI: 10.7270/Q2R210Z2
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50160898 (3-(4-Thiophen-3-yl-phenyl)-8-aza-bicyclo[3.2.1]oct...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccsc1)N2 |THB:2:4:22:6.7,11:10:22:6.7| Show InChI InChI=1S/C19H21NO2S/c1-22-19(21)18-16(10-15-6-7-17(18)20-15)13-4-2-12(3-5-13)14-8-9-23-11-14/h2-5,8-9,11,15-18,20H,6-7,10H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Displacement of [3H]GBR-12935 from dopamine transporter of rat caudate-putamen				Bioorg Med Chem Lett 15: 1131-3 (2005) Article DOI: 10.1016/j.bmcl.2004.12.014 BindingDB Entry DOI: 10.7270/Q2PK0GXK
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50160895 (3-[4-(5-Bromo-thiophen-2-yl)-phenyl]-8-methyl-8-az...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccc(Br)s1)N2C |TLB:24:23:4.10.9:6.7,THB:2:4:23:6.7,11:10:23:6.7| Show InChI InChI=1S/C20H22BrNO2S/c1-22-14-7-8-16(22)19(20(23)24-2)15(11-14)12-3-5-13(6-4-12)17-9-10-18(21)25-17/h3-6,9-10,14-16,19H,7-8,11H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Displacement of [3H]GBR-12935 from dopamine transporter of rat caudate-putamen				Bioorg Med Chem Lett 15: 1131-3 (2005) Article DOI: 10.1016/j.bmcl.2004.12.014 BindingDB Entry DOI: 10.7270/Q2PK0GXK
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50160627 (2-{[5-(2-furyl)pyridin-3-yl]ethynyl}-6-methylpyrid...) Show SMILES Cc1cccc(n1)C#Cc1cncc(c1)-c1ccco1 Show InChI InChI=1S/C17H12N2O/c1-13-4-2-5-16(19-13)8-7-14-10-15(12-18-11-14)17-6-3-9-20-17/h2-6,9-12H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description In vitro binding affinity of compound towards rat metabotropic glutamate receptor 5 was determined using inositol phosphate hydrolysis assay				Bioorg Med Chem Lett 15: 945-9 (2005) Article DOI: 10.1016/j.bmcl.2004.12.047 BindingDB Entry DOI: 10.7270/Q2QN6681
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50175648 (CHEMBL199704 | methyl 3-(4-(furan-2-yl)phenyl)-8-m...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccco1)N2C |TLB:23:22:6.7:4.10.9,THB:2:4:6.7:22,11:10:6.7:22| Show InChI InChI=1S/C20H23NO3/c1-21-15-9-10-17(21)19(20(22)23-2)16(12-15)13-5-7-14(8-6-13)18-4-3-11-24-18/h3-8,11,15-17,19H,9-10,12H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Displacement of [3H]GBR-12935 from DAT in rat rat frontoparietal cerebral cortex				Bioorg Med Chem Lett 16: 217-20 (2005) Article DOI: 10.1016/j.bmcl.2005.09.016 BindingDB Entry DOI: 10.7270/Q2R210Z2
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50175637 (CHEMBL383572 | methyl 8-methyl-3-(4-(pyrazin-2-yl)...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cnccn1)N2C |TLB:24:23:6.7:4.10.9,THB:2:4:6.7:23,11:10:6.7:23| Show InChI InChI=1S/C20H23N3O2/c1-23-15-7-8-18(23)19(20(24)25-2)16(11-15)13-3-5-14(6-4-13)17-12-21-9-10-22-17/h3-6,9-10,12,15-16,18-19H,7-8,11H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from SERT in rat frontoparietal cerebral cortex				Bioorg Med Chem Lett 16: 217-20 (2005) Article DOI: 10.1016/j.bmcl.2005.09.016 BindingDB Entry DOI: 10.7270/Q2R210Z2
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50160893 (8-Methyl-3-(4-thiophen-3-yl-phenyl)-8-aza-bicyclo[...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccsc1)N2C |TLB:23:22:4.10.9:6.7,THB:2:4:22:6.7,11:10:22:6.7| Show InChI InChI=1S/C20H23NO2S/c1-21-16-7-8-18(21)19(20(22)23-2)17(11-16)14-5-3-13(4-6-14)15-9-10-24-12-15/h3-6,9-10,12,16-19H,7-8,11H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	12.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Displacement of [3H]GBR-12935 from dopamine transporter of rat caudate-putamen				Bioorg Med Chem Lett 15: 1131-3 (2005) Article DOI: 10.1016/j.bmcl.2004.12.014 BindingDB Entry DOI: 10.7270/Q2PK0GXK
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50160892 (3-(4-Thiophen-2-yl-phenyl)-8-aza-bicyclo[3.2.1]oct...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccs1)N2 |THB:2:4:22:6.7,11:10:22:6.7| Show InChI InChI=1S/C19H21NO2S/c1-22-19(21)18-15(11-14-8-9-16(18)20-14)12-4-6-13(7-5-12)17-3-2-10-23-17/h2-7,10,14-16,18,20H,8-9,11H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Displacement of [3H]GBR-12935 from dopamine transporter of rat caudate-putamen				Bioorg Med Chem Lett 15: 1131-3 (2005) Article DOI: 10.1016/j.bmcl.2004.12.014 BindingDB Entry DOI: 10.7270/Q2PK0GXK
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50175644 (CHEMBL200044 | methyl 3-(4-(furan-2-yl)phenyl)-8-a...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccco1)N2 |THB:2:4:6.7:22,11:10:6.7:22| Show InChI InChI=1S/C19H21NO3/c1-22-19(21)18-15(11-14-8-9-16(18)20-14)12-4-6-13(7-5-12)17-3-2-10-23-17/h2-7,10,14-16,18,20H,8-9,11H2,1H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from NET in rat caudate-putamen				Bioorg Med Chem Lett 16: 217-20 (2005) Article DOI: 10.1016/j.bmcl.2005.09.016 BindingDB Entry DOI: 10.7270/Q2R210Z2
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50160624 (6-Methyl-5''-(6-methyl-pyridin-2-ylethynyl)-[2,3''...) Show SMILES Cc1cccc(n1)C#Cc1cncc(c1)-c1cccc(C)n1 Show InChI InChI=1S/C19H15N3/c1-14-5-3-7-18(21-14)10-9-16-11-17(13-20-12-16)19-8-4-6-15(2)22-19/h3-8,11-13H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description In vitro binding affinity of compound towards rat metabotropic glutamate receptor 5 was determined using inositol phosphate hydrolysis assay				Bioorg Med Chem Lett 15: 945-9 (2005) Article DOI: 10.1016/j.bmcl.2004.12.047 BindingDB Entry DOI: 10.7270/Q2QN6681
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50198231 (2-((2-nitrobenzyloxy)(3-iodophenyl)methyl)morpholi...) Show SMILES [O-][N+](=O)c1ccccc1COC(C1CNCCO1)c1cccc(I)c1 |w:12.13,11.11| Show InChI InChI=1S/C18H19IN2O4/c19-15-6-3-5-13(10-15)18(17-11-20-8-9-24-17)25-12-14-4-1-2-7-16(14)21(22)23/h1-7,10,17-18,20H,8-9,11-12H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	14.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Degenerative Diseases Curated by ChEMBL					Assay Description Displacement of [3H]GBR from DAT in rat brain membranes				Bioorg Med Chem Lett 17: 533-7 (2007) Article DOI: 10.1016/j.bmcl.2006.10.018 BindingDB Entry DOI: 10.7270/Q2WS8SX8
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50175634 (CHEMBL200698 | methyl 3-(4-(furan-3-yl)phenyl)-8-m...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccoc1)N2C |TLB:23:22:6.7:4.10.9,THB:2:4:6.7:22,11:10:6.7:22| Show InChI InChI=1S/C20H23NO3/c1-21-16-7-8-18(21)19(20(22)23-2)17(11-16)14-5-3-13(4-6-14)15-9-10-24-12-15/h3-6,9-10,12,16-19H,7-8,11H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Displacement of [3H]GBR-12935 from DAT in rat rat frontoparietal cerebral cortex				Bioorg Med Chem Lett 16: 217-20 (2005) Article DOI: 10.1016/j.bmcl.2005.09.016 BindingDB Entry DOI: 10.7270/Q2R210Z2
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50198233 (2-((3-iodophenyl)(2-methoxyphenoxy)methyl)morpholi...) Show SMILES COc1ccccc1OC(C1CNCCO1)c1cccc(I)c1 |w:10.11,9.9| Show InChI InChI=1S/C18H20INO3/c1-21-15-7-2-3-8-16(15)23-18(17-12-20-9-10-22-17)13-5-4-6-14(19)11-13/h2-8,11,17-18,20H,9-10,12H2,1H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Degenerative Diseases Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from NET in rat brain membranes				Bioorg Med Chem Lett 17: 533-7 (2007) Article DOI: 10.1016/j.bmcl.2006.10.018 BindingDB Entry DOI: 10.7270/Q2WS8SX8
					More data for this Ligand-Target Pair

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