Compile Data Set for Download or QSAR

Found 27 hits with Last Name = 'dewar' 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
Transporter (Rattus norvegicus (rat))	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 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
University of Glasgow Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from NAT in Sprague-Dawley rat brain after 4 hrs by liquid scintillation analysis				Bioorg Med Chem Lett 19: 4996-8 (2009) Article DOI: 10.1016/j.bmcl.2009.07.064 BindingDB Entry DOI: 10.7270/Q22V2G5N
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus (rat))	BDBM50301211 ((2R,3S)-2-[(2-Iodophenoxy)phenylmethyl]morpholine ...) Show SMILES Ic1ccccc1O[C@H]([C@H]1CNCCO1)c1ccccc1 |r| 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+/m1/s1	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Glasgow Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from NAT in Sprague-Dawley rat brain after 4 hrs by liquid scintillation analysis				Bioorg Med Chem Lett 19: 4996-8 (2009) Article DOI: 10.1016/j.bmcl.2009.07.064 BindingDB Entry DOI: 10.7270/Q22V2G5N
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM22032 (1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...) Show SMILES CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl Show InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	9.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Glasgow Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat brain homogenates by liquid scintillation counting				Bioorg Med Chem Lett 20: 954-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.061 BindingDB Entry DOI: 10.7270/Q2JH3N50
					More data for this Ligand-Target Pair				3D Structure (crystal)
Translocator protein (Rattus norvegicus (rat))	BDBM50310140 (CHEMBL605154 | N,N-Diethyl-3-iodomethyl-4-phenylqu...) Show SMILES CCN(CC)C(=O)c1nc2ccccc2c(-c2ccccc2)c1CI Show InChI InChI=1S/C21H21IN2O/c1-3-24(4-2)21(25)20-17(14-22)19(15-10-6-5-7-11-15)16-12-8-9-13-18(16)23-20/h5-13H,3-4,14H2,1-2H3	PDB 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
University of Glasgow Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat brain homogenates by liquid scintillation counting				Bioorg Med Chem Lett 20: 954-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.061 BindingDB Entry DOI: 10.7270/Q2JH3N50
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50310139 (CHEMBL601203 | N-Benzyl-3-iodomethyl-N-methyl-4-ph...) Show SMILES CN(Cc1ccccc1)C(=O)c1nc2ccccc2c(-c2ccccc2)c1CI Show InChI InChI=1S/C25H21IN2O/c1-28(17-18-10-4-2-5-11-18)25(29)24-21(16-26)23(19-12-6-3-7-13-19)20-14-8-9-15-22(20)27-24/h2-15H,16-17H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Glasgow Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat brain homogenates by liquid scintillation counting				Bioorg Med Chem Lett 20: 954-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.061 BindingDB Entry DOI: 10.7270/Q2JH3N50
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50301213 ((2R,3S)-2-[(4-Iodophenoxy)phenylmethyl]morpholine ...) Show SMILES Ic1ccc(O[C@H]([C@H]2CNCCO2)c2ccccc2)cc1 |r| Show InChI InChI=1S/C17H18INO2/c18-14-6-8-15(9-7-14)21-17(13-4-2-1-3-5-13)16-12-19-10-11-20-16/h1-9,16-17,19H,10-12H2/t16-,17+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Glasgow Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT in Sprague-Dawley rat brain after 2 hrs by liquid scintillation analysis				Bioorg Med Chem Lett 19: 4996-8 (2009) Article DOI: 10.1016/j.bmcl.2009.07.064 BindingDB Entry DOI: 10.7270/Q22V2G5N
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50301211 ((2R,3S)-2-[(2-Iodophenoxy)phenylmethyl]morpholine ...) Show SMILES Ic1ccccc1O[C@H]([C@H]1CNCCO1)c1ccccc1 |r| 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+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	51.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Glasgow Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT in Sprague-Dawley rat brain after 2 hrs by liquid scintillation analysis				Bioorg Med Chem Lett 19: 4996-8 (2009) Article DOI: 10.1016/j.bmcl.2009.07.064 BindingDB Entry DOI: 10.7270/Q22V2G5N
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus (rat))	BDBM50264064 ((2S,3S)-iodoreboxetine | (S)-2-((S)-(2-ethoxypheno...) Show SMILES CCOc1ccccc1O[C@H]([C@@H]1CNCCO1)c1ccc(I)cc1 |r| Show InChI InChI=1S/C19H22INO3/c1-2-22-16-5-3-4-6-17(16)24-19(18-13-21-11-12-23-18)14-7-9-15(20)10-8-14/h3-10,18-19,21H,2,11-13H2,1H3/t18-,19-/m0/s1	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	53.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Glasgow Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from NAT in Sprague-Dawley rat brain after 4 hrs by liquid scintillation analysis				Bioorg Med Chem Lett 19: 4996-8 (2009) Article DOI: 10.1016/j.bmcl.2009.07.064 BindingDB Entry DOI: 10.7270/Q22V2G5N
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus (rat))	BDBM50264063 ((2R,3S)-iodoreboxetine | (R)-2-((S)-(2-ethoxypheno...) Show SMILES CCOc1ccccc1O[C@H]([C@H]1CNCCO1)c1ccc(I)cc1 |r| Show InChI InChI=1S/C19H22INO3/c1-2-22-16-5-3-4-6-17(16)24-19(18-13-21-11-12-23-18)14-7-9-15(20)10-8-14/h3-10,18-19,21H,2,11-13H2,1H3/t18-,19+/m1/s1	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	58.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Glasgow Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from NAT in Sprague-Dawley rat brain after 4 hrs by liquid scintillation analysis				Bioorg Med Chem Lett 19: 4996-8 (2009) Article DOI: 10.1016/j.bmcl.2009.07.064 BindingDB Entry DOI: 10.7270/Q22V2G5N
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50301212 ((2R,3S)-2-[(3-Iodophenoxy)phenylmethyl]morpholine ...) Show SMILES Ic1cccc(O[C@H]([C@H]2CNCCO2)c2ccccc2)c1 |r| Show InChI InChI=1S/C17H18INO2/c18-14-7-4-8-15(11-14)21-17(13-5-2-1-3-6-13)16-12-19-9-10-20-16/h1-8,11,16-17,19H,9-10,12H2/t16-,17+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	154	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Glasgow Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT in Sprague-Dawley rat brain after 2 hrs by liquid scintillation analysis				Bioorg Med Chem Lett 19: 4996-8 (2009) Article DOI: 10.1016/j.bmcl.2009.07.064 BindingDB Entry DOI: 10.7270/Q22V2G5N
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50310141 (4-Phenyl-3-iodomethylquinoline-2-N-methyl-N-sec-bu...) Show SMILES CCC(C)N(C)C(=O)c1nc2ccccc2c(-c2ccccc2)c1CI Show InChI InChI=1S/C22H23IN2O/c1-4-15(2)25(3)22(26)21-18(14-23)20(16-10-6-5-7-11-16)17-12-8-9-13-19(17)24-21/h5-13,15H,4,14H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	173	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Glasgow Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat brain homogenates by liquid scintillation counting				Bioorg Med Chem Lett 20: 954-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.061 BindingDB Entry DOI: 10.7270/Q2JH3N50
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50310138 (3-Iodomethyl-N-methyl-N-phenethyl-4-phenylquinolin...) Show SMILES CN(CCc1ccccc1)C(=O)c1nc2ccccc2c(-c2ccccc2)c1CI Show InChI InChI=1S/C26H23IN2O/c1-29(17-16-19-10-4-2-5-11-19)26(30)25-22(18-27)24(20-12-6-3-7-13-20)21-14-8-9-15-23(21)28-25/h2-15H,16-18H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	411	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Glasgow Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat brain homogenates by liquid scintillation counting				Bioorg Med Chem Lett 20: 954-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.061 BindingDB Entry DOI: 10.7270/Q2JH3N50
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50310137 (3-Methyl-4-phenylquinoline-2-N-methyl-N-(3-iodoben...) Show SMILES CN(Cc1cccc(I)c1)C(=O)c1nc2ccccc2c(c1C)-c1ccccc1 Show InChI InChI=1S/C25H21IN2O/c1-17-23(19-10-4-3-5-11-19)21-13-6-7-14-22(21)27-24(17)25(29)28(2)16-18-9-8-12-20(26)15-18/h3-15H,16H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	455	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Glasgow Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat brain homogenates by liquid scintillation counting				Bioorg Med Chem Lett 20: 954-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.061 BindingDB Entry DOI: 10.7270/Q2JH3N50
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50301211 ((2R,3S)-2-[(2-Iodophenoxy)phenylmethyl]morpholine ...) Show SMILES Ic1ccccc1O[C@H]([C@H]1CNCCO1)c1ccccc1 |r| 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+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	526	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Glasgow Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35,428 from DAT in Sprague-Dawley rat brain after 2 hrs by liquid scintillation analysis				Bioorg Med Chem Lett 19: 4996-8 (2009) Article DOI: 10.1016/j.bmcl.2009.07.064 BindingDB Entry DOI: 10.7270/Q22V2G5N
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50263316 ((2R,3R)-iodoreboxetine | CHEMBL477406) Show SMILES CCOc1ccccc1O[C@@H]([C@H]1CNCCO1)c1ccc(I)cc1 |r| Show InChI InChI=1S/C19H22INO3/c1-2-22-16-5-3-4-6-17(16)24-19(18-13-21-11-12-23-18)14-7-9-15(20)10-8-14/h3-10,18-19,21H,2,11-13H2,1H3/t18-,19-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	646	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Glasgow Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from rat brain SERT				Bioorg Med Chem Lett 18: 4940-3 (2008) Article DOI: 10.1016/j.bmcl.2008.08.041 BindingDB Entry DOI: 10.7270/Q2B27V46
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50263316 ((2R,3R)-iodoreboxetine | CHEMBL477406) Show SMILES CCOc1ccccc1O[C@@H]([C@H]1CNCCO1)c1ccc(I)cc1 |r| Show InChI InChI=1S/C19H22INO3/c1-2-22-16-5-3-4-6-17(16)24-19(18-13-21-11-12-23-18)14-7-9-15(20)10-8-14/h3-10,18-19,21H,2,11-13H2,1H3/t18-,19-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	716	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Glasgow Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 from rat brain DAT				Bioorg Med Chem Lett 18: 4940-3 (2008) Article DOI: 10.1016/j.bmcl.2008.08.041 BindingDB Entry DOI: 10.7270/Q2B27V46
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50310132 (4-(4-Fluorophenyl)quinoline-2-N-methyl-N-(4-iodobe...) Show SMILES CN(Cc1ccc(I)cc1)C(=O)c1cc(-c2ccc(F)cc2)c2ccccc2n1 Show InChI InChI=1S/C24H18FIN2O/c1-28(15-16-6-12-19(26)13-7-16)24(29)23-14-21(17-8-10-18(25)11-9-17)20-4-2-3-5-22(20)27-23/h2-14H,15H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Glasgow Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat brain homogenates by liquid scintillation counting				Bioorg Med Chem Lett 20: 954-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.061 BindingDB Entry DOI: 10.7270/Q2JH3N50
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50310133 (4-(4-Fluorophenyl)quinoline-2-N-methyl-N-(3-iodobe...) Show SMILES CN(Cc1cccc(I)c1)C(=O)c1cc(-c2ccc(F)cc2)c2ccccc2n1 Show InChI InChI=1S/C24H18FIN2O/c1-28(15-16-5-4-6-19(26)13-16)24(29)23-14-21(17-9-11-18(25)12-10-17)20-7-2-3-8-22(20)27-23/h2-14H,15H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Glasgow Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat brain homogenates by liquid scintillation counting				Bioorg Med Chem Lett 20: 954-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.061 BindingDB Entry DOI: 10.7270/Q2JH3N50
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50310136 (3-Methyl-4-phenylquinoline-2-N-methyl-N-(4-iodoben...) Show SMILES CN(Cc1ccc(I)cc1)C(=O)c1nc2ccccc2c(c1C)-c1ccccc1 Show InChI InChI=1S/C25H21IN2O/c1-17-23(19-8-4-3-5-9-19)21-10-6-7-11-22(21)27-24(17)25(29)28(2)16-18-12-14-20(26)15-13-18/h3-15H,16H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Glasgow Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat brain homogenates by liquid scintillation counting				Bioorg Med Chem Lett 20: 954-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.061 BindingDB Entry DOI: 10.7270/Q2JH3N50
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50310135 (4-Phenylquinoline-2-N-methyl-N-(3-iodobenzyl)carbo...) Show SMILES CN(Cc1cccc(I)c1)C(=O)c1cc(-c2ccccc2)c2ccccc2n1 Show InChI InChI=1S/C24H19IN2O/c1-27(16-17-8-7-11-19(25)14-17)24(28)23-15-21(18-9-3-2-4-10-18)20-12-5-6-13-22(20)26-23/h2-15H,16H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Glasgow Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat brain homogenates by liquid scintillation counting				Bioorg Med Chem Lett 20: 954-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.061 BindingDB Entry DOI: 10.7270/Q2JH3N50
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50310134 (4-Phenylquinoline-2-N-methyl-N-(4-iodobenzyl)carbo...) Show SMILES CN(Cc1ccc(I)cc1)C(=O)c1cc(-c2ccccc2)c2ccccc2n1 Show InChI InChI=1S/C24H19IN2O/c1-27(16-17-11-13-19(25)14-12-17)24(28)23-15-21(18-7-3-2-4-8-18)20-9-5-6-10-22(20)26-23/h2-15H,16H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Glasgow Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat brain homogenates by liquid scintillation counting				Bioorg Med Chem Lett 20: 954-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.061 BindingDB Entry DOI: 10.7270/Q2JH3N50
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus (rat))	BDBM50301213 ((2R,3S)-2-[(4-Iodophenoxy)phenylmethyl]morpholine ...) Show SMILES Ic1ccc(O[C@H]([C@H]2CNCCO2)c2ccccc2)cc1 |r| Show InChI InChI=1S/C17H18INO2/c18-14-6-8-15(9-7-14)21-17(13-4-2-1-3-5-13)16-12-19-10-11-20-16/h1-9,16-17,19H,10-12H2/t16-,17+/m1/s1	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Glasgow Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from NAT in Sprague-Dawley rat brain after 4 hrs by liquid scintillation analysis				Bioorg Med Chem Lett 19: 4996-8 (2009) Article DOI: 10.1016/j.bmcl.2009.07.064 BindingDB Entry DOI: 10.7270/Q22V2G5N
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50264064 ((2S,3S)-iodoreboxetine | (S)-2-((S)-(2-ethoxypheno...) Show SMILES CCOc1ccccc1O[C@H]([C@@H]1CNCCO1)c1ccc(I)cc1 |r| Show InChI InChI=1S/C19H22INO3/c1-2-22-16-5-3-4-6-17(16)24-19(18-13-21-11-12-23-18)14-7-9-15(20)10-8-14/h3-10,18-19,21H,2,11-13H2,1H3/t18-,19-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.46E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Glasgow Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 from rat brain DAT				Bioorg Med Chem Lett 18: 4940-3 (2008) Article DOI: 10.1016/j.bmcl.2008.08.041 BindingDB Entry DOI: 10.7270/Q2B27V46
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus (rat))	BDBM50301212 ((2R,3S)-2-[(3-Iodophenoxy)phenylmethyl]morpholine ...) Show SMILES Ic1cccc(O[C@H]([C@H]2CNCCO2)c2ccccc2)c1 |r| Show InChI InChI=1S/C17H18INO2/c18-14-7-4-8-15(11-14)21-17(13-5-2-1-3-6-13)16-12-19-9-10-20-16/h1-8,11,16-17,19H,9-10,12H2/t16-,17+/m1/s1	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Glasgow Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from NAT in Sprague-Dawley rat brain after 4 hrs by liquid scintillation analysis				Bioorg Med Chem Lett 19: 4996-8 (2009) Article DOI: 10.1016/j.bmcl.2009.07.064 BindingDB Entry DOI: 10.7270/Q22V2G5N
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50301212 ((2R,3S)-2-[(3-Iodophenoxy)phenylmethyl]morpholine ...) Show SMILES Ic1cccc(O[C@H]([C@H]2CNCCO2)c2ccccc2)c1 |r| Show InChI InChI=1S/C17H18INO2/c18-14-7-4-8-15(11-14)21-17(13-5-2-1-3-6-13)16-12-19-9-10-20-16/h1-8,11,16-17,19H,9-10,12H2/t16-,17+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Glasgow Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35,428 from DAT in Sprague-Dawley rat brain after 2 hrs by liquid scintillation analysis				Bioorg Med Chem Lett 19: 4996-8 (2009) Article DOI: 10.1016/j.bmcl.2009.07.064 BindingDB Entry DOI: 10.7270/Q22V2G5N
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50301213 ((2R,3S)-2-[(4-Iodophenoxy)phenylmethyl]morpholine ...) Show SMILES Ic1ccc(O[C@H]([C@H]2CNCCO2)c2ccccc2)cc1 |r| Show InChI InChI=1S/C17H18INO2/c18-14-6-8-15(9-7-14)21-17(13-4-2-1-3-5-13)16-12-19-10-11-20-16/h1-9,16-17,19H,10-12H2/t16-,17+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Glasgow Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35,428 from DAT in Sprague-Dawley rat brain after 2 hrs by liquid scintillation analysis				Bioorg Med Chem Lett 19: 4996-8 (2009) Article DOI: 10.1016/j.bmcl.2009.07.064 BindingDB Entry DOI: 10.7270/Q22V2G5N
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50264064 ((2S,3S)-iodoreboxetine | (S)-2-((S)-(2-ethoxypheno...) Show SMILES CCOc1ccccc1O[C@H]([C@@H]1CNCCO1)c1ccc(I)cc1 |r| Show InChI InChI=1S/C19H22INO3/c1-2-22-16-5-3-4-6-17(16)24-19(18-13-21-11-12-23-18)14-7-9-15(20)10-8-14/h3-10,18-19,21H,2,11-13H2,1H3/t18-,19-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.79E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Glasgow Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from rat brain SERT				Bioorg Med Chem Lett 18: 4940-3 (2008) Article DOI: 10.1016/j.bmcl.2008.08.041 BindingDB Entry DOI: 10.7270/Q2B27V46
					More data for this Ligand-Target Pair