Compile Data Set for Download or QSAR

Found 102 hits with Last Name = 'ghorai' and Initial = 'sk'   

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 dopamine transporter (Rattus norvegicus (rat))	BDBM50125902 ((1S,4R)-4-(2-Benzhydryloxy-ethyl)-1-(4-fluoro-benz...) Show SMILES OC1CN(Cc2ccc(F)cc2)CC[C@@H]1CCOC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C27H30FNO2/c28-25-13-11-21(12-14-25)19-29-17-15-22(26(30)20-29)16-18-31-27(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,22,26-27,30H,15-20H2/t22-,26?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.460	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Binding affinity towards dopamine transporter in rat striatum using [3H]WIN-35 428 as radioligand				J Med Chem 46: 1220-8 (2003) Article DOI: 10.1021/jm020275k BindingDB Entry DOI: 10.7270/Q2CZ37XT
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50055876 (4-(2-Benzhydryloxy-ethyl)-1-(4-fluoro-benzyl)-pipe...) Show SMILES Fc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1 Show InChI InChI=1S/C27H30FNO/c28-26-13-11-23(12-14-26)21-29-18-15-22(16-19-29)17-20-30-27(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-14,22,27H,15-21H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.48	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of uptake from dopamine transporter in rat striatum using [3H]DA as radioligand				J Med Chem 46: 1220-8 (2003) Article DOI: 10.1021/jm020275k BindingDB Entry DOI: 10.7270/Q2CZ37XT
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50125902 ((1S,4R)-4-(2-Benzhydryloxy-ethyl)-1-(4-fluoro-benz...) Show SMILES OC1CN(Cc2ccc(F)cc2)CC[C@@H]1CCOC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C27H30FNO2/c28-25-13-11-21(12-14-25)19-29-17-15-22(26(30)20-29)16-18-31-27(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,22,26-27,30H,15-20H2/t22-,26?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.05	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of uptake from dopamine transporter in rat striatum using [3H]DA as radioligand				J Med Chem 46: 1220-8 (2003) Article DOI: 10.1021/jm020275k BindingDB Entry DOI: 10.7270/Q2CZ37XT
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM22165 (1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...) Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.63	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of uptake from dopamine transporter in rat striatum using [3H]DA as radioligand				J Med Chem 46: 1220-8 (2003) Article DOI: 10.1021/jm020275k BindingDB Entry DOI: 10.7270/Q2CZ37XT
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50125905 ((3R,4S)-4-(2-Benzhydryloxy-ethyl)-1-(4-fluoro-benz...) Show SMILES O[C@H]1CN(Cc2ccc(F)cc2)CC[C@H]1CCOC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C27H30FNO2/c28-25-13-11-21(12-14-25)19-29-17-15-22(26(30)20-29)16-18-31-27(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,22,26-27,30H,15-20H2/t22-,26-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10.1	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of uptake from dopamine transporter in rat striatum using [3H]DA as radioligand				J Med Chem 46: 1220-8 (2003) Article DOI: 10.1021/jm020275k BindingDB Entry DOI: 10.7270/Q2CZ37XT
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM22165 (1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...) Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10.6	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of [3H]WIN-35428 binding to dopamine transporter of rat striatum				J Med Chem 47: 5101-13 (2004) Article DOI: 10.1021/jm049796t BindingDB Entry DOI: 10.7270/Q2HQ40P0
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM22165 (1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...) Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10.6	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Binding affinity at the dopamine transporter in rast striatum by [3H]WIN-35428 displacement.				J Med Chem 46: 2205-15 (2003) Article DOI: 10.1021/jm020561w BindingDB Entry DOI: 10.7270/Q24X58H3
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM22165 (1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...) Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10.6	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Binding affinity towards dopamine transporter in rat striatum using [3H]WIN-35 428 as radioligand				J Med Chem 46: 1220-8 (2003) Article DOI: 10.1021/jm020275k BindingDB Entry DOI: 10.7270/Q2CZ37XT
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50125905 ((3R,4S)-4-(2-Benzhydryloxy-ethyl)-1-(4-fluoro-benz...) Show SMILES O[C@H]1CN(Cc2ccc(F)cc2)CC[C@H]1CCOC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C27H30FNO2/c28-25-13-11-21(12-14-25)19-29-17-15-22(26(30)20-29)16-18-31-27(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,22,26-27,30H,15-20H2/t22-,26-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11.2	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Binding affinity towards dopamine transporter in rat striatum using [3H]WIN-35 428 as radioligand				J Med Chem 46: 1220-8 (2003) Article DOI: 10.1021/jm020275k BindingDB Entry DOI: 10.7270/Q2CZ37XT
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50154243 (4-[(6-Benzhydryl-piperidin-3-ylamino)-methyl]-benz...) Show SMILES N#Cc1ccc(CNC2CCC(NC2)C(c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C26H27N3/c27-17-20-11-13-21(14-12-20)18-28-24-15-16-25(29-19-24)26(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-14,24-26,28-29H,15-16,18-19H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11.2	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of [3H]WIN-35428 binding to dopamine transporter of rat striatum				J Med Chem 47: 5101-13 (2004) Article DOI: 10.1021/jm049796t BindingDB Entry DOI: 10.7270/Q2HQ40P0
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50055876 (4-(2-Benzhydryloxy-ethyl)-1-(4-fluoro-benzyl)-pipe...) Show SMILES Fc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1 Show InChI InChI=1S/C27H30FNO/c28-26-13-11-23(12-14-26)21-29-18-15-22(16-19-29)17-20-30-27(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-14,22,27H,15-21H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17.2	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Binding affinity towards dopamine transporter in rat striatum using [3H]WIN-35 428 as radioligand				J Med Chem 46: 1220-8 (2003) Article DOI: 10.1021/jm020275k BindingDB Entry DOI: 10.7270/Q2CZ37XT
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50098392 ((2,2-Diphenyl-ethyl)-[1-(4-fluoro-benzyl)-piperidi...) Show SMILES Fc1ccc(CN2CCC(CNCC(c3ccccc3)c3ccccc3)CC2)cc1 Show InChI InChI=1S/C27H31FN2/c28-26-13-11-23(12-14-26)21-30-17-15-22(16-18-30)19-29-20-27(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-14,22,27,29H,15-21H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19.7	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Binding affinity at the dopamine transporter in rast striatum by [3H]WIN-35428 displacement.				J Med Chem 46: 2205-15 (2003) Article DOI: 10.1021/jm020561w BindingDB Entry DOI: 10.7270/Q24X58H3
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50098392 ((2,2-Diphenyl-ethyl)-[1-(4-fluoro-benzyl)-piperidi...) Show SMILES Fc1ccc(CN2CCC(CNCC(c3ccccc3)c3ccccc3)CC2)cc1 Show InChI InChI=1S/C27H31FN2/c28-26-13-11-23(12-14-26)21-30-17-15-22(16-18-30)19-29-20-27(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-14,22,27,29H,15-21H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19.7	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of [3H]WIN-35428 binding to dopamine transporter of rat striatum				J Med Chem 47: 5101-13 (2004) Article DOI: 10.1021/jm049796t BindingDB Entry DOI: 10.7270/Q2HQ40P0
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50103818 ((6-Benzhydryl-piperidin-3-yl)-(4-fluoro-benzyl)-am...) Show SMILES Fc1ccc(CNC2CCC(NC2)C(c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C25H27FN2/c26-22-13-11-19(12-14-22)17-27-23-15-16-24(28-18-23)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,23-25,27-28H,15-18H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	33.8	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of [3H]WIN-35428 binding to dopamine transporter of rat striatum				J Med Chem 47: 5101-13 (2004) Article DOI: 10.1021/jm049796t BindingDB Entry DOI: 10.7270/Q2HQ40P0
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50125901 (4-(2-Benzhydryloxy-ethyl)-1-(4-fluoro-benzyl)-1,2,...) Show SMILES Fc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)=CC2)cc1 |c:27| Show InChI InChI=1S/C27H28FNO/c28-26-13-11-23(12-14-26)21-29-18-15-22(16-19-29)17-20-30-27(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-15,27H,16-21H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	37.8	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Binding affinity towards dopamine transporter in rat striatum using [3H]WIN-35 428 as radioligand				J Med Chem 46: 1220-8 (2003) Article DOI: 10.1021/jm020275k BindingDB Entry DOI: 10.7270/Q2CZ37XT
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50125903 ((3S,4S)-4-(2-Benzhydryloxy-ethyl)-1-(4-fluoro-benz...) Show SMILES O[C@@H]1CN(Cc2ccc(F)cc2)CC[C@H]1CCOC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C27H30FNO2/c28-25-13-11-21(12-14-25)19-29-17-15-22(26(30)20-29)16-18-31-27(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,22,26-27,30H,15-20H2/t22-,26+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of uptake from dopamine transporter in rat striatum using [3H]DA as radioligand				J Med Chem 46: 1220-8 (2003) Article DOI: 10.1021/jm020275k BindingDB Entry DOI: 10.7270/Q2CZ37XT
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50154228 ((6-Benzhydryl-piperidin-3-yl)-(4-methoxy-benzyl)-a...) Show SMILES COc1ccc(CNC2CCC(NC2)C(c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C26H30N2O/c1-29-24-15-12-20(13-16-24)18-27-23-14-17-25(28-19-23)26(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-13,15-16,23,25-28H,14,17-19H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47.5	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of [3H]WIN-35428 binding to dopamine transporter of rat striatum				J Med Chem 47: 5101-13 (2004) Article DOI: 10.1021/jm049796t BindingDB Entry DOI: 10.7270/Q2HQ40P0
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50125903 ((3S,4S)-4-(2-Benzhydryloxy-ethyl)-1-(4-fluoro-benz...) Show SMILES O[C@@H]1CN(Cc2ccc(F)cc2)CC[C@H]1CCOC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C27H30FNO2/c28-25-13-11-21(12-14-25)19-29-17-15-22(26(30)20-29)16-18-31-27(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,22,26-27,30H,15-20H2/t22-,26+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	56.7	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Binding affinity towards dopamine transporter in rat striatum using [3H]WIN-35 428 as radioligand				J Med Chem 46: 1220-8 (2003) Article DOI: 10.1021/jm020275k BindingDB Entry DOI: 10.7270/Q2CZ37XT
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50154231 (8-Benzhydryl-4-(4-methoxy-phenyl)-1,4-diaza-bicycl...) Show SMILES COc1ccc(cc1)N1CCN2CC1CCC2C(c1ccccc1)c1ccccc1 |TLB:5:8:12:16.15.14,THB:17:16:12:8.9.10| Show InChI InChI=1S/C27H30N2O/c1-30-25-15-12-23(13-16-25)29-19-18-28-20-24(29)14-17-26(28)27(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-13,15-16,24,26-27H,14,17-20H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	68.9	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of [3H]WIN-35428 binding to dopamine transporter of rat striatum				J Med Chem 47: 5101-13 (2004) Article DOI: 10.1021/jm049796t BindingDB Entry DOI: 10.7270/Q2HQ40P0
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50154232 (8-Benzhydryl-4-(4-fluoro-phenyl)-1,4-diaza-bicyclo...) Show SMILES Fc1ccc(cc1)N1CCN2CC1CCC2C(c1ccccc1)c1ccccc1 |TLB:4:7:11:15.14.13,THB:16:15:11:7.8.9| Show InChI InChI=1S/C26H27FN2/c27-22-11-13-23(14-12-22)29-18-17-28-19-24(29)15-16-25(28)26(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,24-26H,15-19H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	81.2	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of [3H]WIN-35428 binding to dopamine transporter of rat striatum				J Med Chem 47: 5101-13 (2004) Article DOI: 10.1021/jm049796t BindingDB Entry DOI: 10.7270/Q2HQ40P0
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50125906 ((S)-4-(2-Benzhydryloxy-ethyl)-1-(4-fluoro-benzyl)-...) Show SMILES Fc1ccc(CN2CC[C@@H](CCOC(c3ccccc3)c3ccccc3)C(=O)C2)cc1 Show InChI InChI=1S/C27H28FNO2/c28-25-13-11-21(12-14-25)19-29-17-15-22(26(30)20-29)16-18-31-27(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,22,27H,15-20H2/t22-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	99	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Binding affinity towards dopamine transporter in rat striatum using [3H]WIN-35 428 as radioligand				J Med Chem 46: 1220-8 (2003) Article DOI: 10.1021/jm020275k BindingDB Entry DOI: 10.7270/Q2CZ37XT
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50154233 (4-(8-Benzhydryl-1,4-diaza-bicyclo[3.3.1]non-4-yl)-...) Show SMILES N#Cc1ccc(cc1)N1CCN2CC1CCC2C(c1ccccc1)c1ccccc1 |TLB:5:8:12:16.15.14,THB:17:16:12:8.9.10| Show InChI InChI=1S/C27H27N3/c28-19-21-11-13-24(14-12-21)30-18-17-29-20-25(30)15-16-26(29)27(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-14,25-27H,15-18,20H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of [3H]WIN-35428 binding to dopamine transporter of rat striatum				J Med Chem 47: 5101-13 (2004) Article DOI: 10.1021/jm049796t BindingDB Entry DOI: 10.7270/Q2HQ40P0
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM22165 (1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...) Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	132	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Binding affinity towards serotonin transporter in rat striatum using [3H]citalopram as radioligand				J Med Chem 46: 1220-8 (2003) Article DOI: 10.1021/jm020275k BindingDB Entry DOI: 10.7270/Q2CZ37XT
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM22165 (1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...) Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	132	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Binding affinity at serotonin transporter in rat striatum by [3H]citalopram displacement.				J Med Chem 46: 2205-15 (2003) Article DOI: 10.1021/jm020561w BindingDB Entry DOI: 10.7270/Q24X58H3
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM22165 (1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...) Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	132	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of [3H]citalopram binding to serotonin transporter of rat cerebral cortex				J Med Chem 47: 5101-13 (2004) Article DOI: 10.1021/jm049796t BindingDB Entry DOI: 10.7270/Q2HQ40P0
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50098392 ((2,2-Diphenyl-ethyl)-[1-(4-fluoro-benzyl)-piperidi...) Show SMILES Fc1ccc(CN2CCC(CNCC(c3ccccc3)c3ccccc3)CC2)cc1 Show InChI InChI=1S/C27H31FN2/c28-26-13-11-23(12-14-26)21-30-17-15-22(16-18-30)19-29-20-27(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-14,22,27,29H,15-21H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	137	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of [3H]citalopram binding to serotonin transporter of rat cerebral cortex				J Med Chem 47: 5101-13 (2004) Article DOI: 10.1021/jm049796t BindingDB Entry DOI: 10.7270/Q2HQ40P0
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50098392 ((2,2-Diphenyl-ethyl)-[1-(4-fluoro-benzyl)-piperidi...) Show SMILES Fc1ccc(CN2CCC(CNCC(c3ccccc3)c3ccccc3)CC2)cc1 Show InChI InChI=1S/C27H31FN2/c28-26-13-11-23(12-14-26)21-30-17-15-22(16-18-30)19-29-20-27(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-14,22,27,29H,15-21H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	137	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Binding affinity at serotonin transporter in rat striatum by [3H]citalopram displacement.				J Med Chem 46: 2205-15 (2003) Article DOI: 10.1021/jm020561w BindingDB Entry DOI: 10.7270/Q24X58H3
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50128231 ((6-Benzhydryl-piperidin-3-yl)-[2-(4-fluoro-phenyl)...) Show SMILES Fc1ccc(CCNC2CCC(NC2)C(c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C26H29FN2/c27-23-13-11-20(12-14-23)17-18-28-24-15-16-25(29-19-24)26(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14,24-26,28-29H,15-19H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	173	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Binding affinity at the dopamine transporter in rast striatum by [3H]WIN-35428 displacement.				J Med Chem 46: 2205-15 (2003) Article DOI: 10.1021/jm020561w BindingDB Entry DOI: 10.7270/Q24X58H3
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50154235 (8-Benzhydryl-4-(3,4-dichloro-phenyl)-1,4-diaza-bic...) Show SMILES Clc1ccc(cc1Cl)N1CCN2CC1CCC2C(c1ccccc1)c1ccccc1 |TLB:4:8:12:16.15.14,THB:17:16:12:8.9.10| Show InChI InChI=1S/C26H26Cl2N2/c27-23-13-11-21(17-24(23)28)30-16-15-29-18-22(30)12-14-25(29)26(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-11,13,17,22,25-26H,12,14-16,18H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of [3H]WIN-35428 binding to dopamine transporter of rat striatum				J Med Chem 47: 5101-13 (2004) Article DOI: 10.1021/jm049796t BindingDB Entry DOI: 10.7270/Q2HQ40P0
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50154244 (8-Benzhydryl-4-(4-ethoxy-phenyl)-1,4-diaza-bicyclo...) Show SMILES CCOc1ccc(cc1)N1CCN2CC1CCC2C(c1ccccc1)c1ccccc1 |TLB:6:9:13:17.16.15,THB:18:17:13:9.10.11| Show InChI InChI=1S/C28H32N2O/c1-2-31-26-16-13-24(14-17-26)30-20-19-29-21-25(30)15-18-27(29)28(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-14,16-17,25,27-28H,2,15,18-21H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	215	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of [3H]WIN-35428 binding to dopamine transporter of rat striatum				J Med Chem 47: 5101-13 (2004) Article DOI: 10.1021/jm049796t BindingDB Entry DOI: 10.7270/Q2HQ40P0
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50154239 ((6-Benzhydryl-1-methyl-piperidin-3-yl)-(4-fluoro-b...) Show SMILES CN(Cc1ccc(F)cc1)C1CCC(C(c2ccccc2)c2ccccc2)N(C)C1 Show InChI InChI=1S/C27H31FN2/c1-29(19-21-13-15-24(28)16-14-21)25-17-18-26(30(2)20-25)27(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-16,25-27H,17-20H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	225	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of [3H]WIN-35428 binding to dopamine transporter of rat striatum				J Med Chem 47: 5101-13 (2004) Article DOI: 10.1021/jm049796t BindingDB Entry DOI: 10.7270/Q2HQ40P0
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50084717 ((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7| Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	266	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Binding affinity at the dopamine transporter in rast striatum by [3H]WIN-35428 displacement.				J Med Chem 46: 2205-15 (2003) Article DOI: 10.1021/jm020561w BindingDB Entry DOI: 10.7270/Q24X58H3
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50084717 ((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7| Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	266	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of [3H]WIN-35428 binding to dopamine transporter of rat striatum				J Med Chem 47: 5101-13 (2004) Article DOI: 10.1021/jm049796t BindingDB Entry DOI: 10.7270/Q2HQ40P0
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50084717 ((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7| Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	266	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Binding affinity towards dopamine transporter in rat striatum using [3H]WIN-35 428 as radioligand				J Med Chem 46: 1220-8 (2003) Article DOI: 10.1021/jm020275k BindingDB Entry DOI: 10.7270/Q2CZ37XT
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50154230 (8-Benzhydryl-4-naphthalen-2-yl-1,4-diaza-bicyclo[3...) Show SMILES C1CC(C(c2ccccc2)c2ccccc2)N2CCN(C1C2)c1ccc2ccccc2c1 |THB:22:19:21:2.1.0,3:2:21:19.18.17| Show InChI InChI=1S/C30H30N2/c1-3-10-24(11-4-1)30(25-12-5-2-6-13-25)29-18-17-28-22-31(29)19-20-32(28)27-16-15-23-9-7-8-14-26(23)21-27/h1-16,21,28-30H,17-20,22H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	308	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of [3H]WIN-35428 binding to dopamine transporter of rat striatum				J Med Chem 47: 5101-13 (2004) Article DOI: 10.1021/jm049796t BindingDB Entry DOI: 10.7270/Q2HQ40P0
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50154237 (CHEMBL187429 | N-[4-(8-Benzhydryl-1,4-diaza-bicycl...) Show SMILES Clc1ccc(cc1)S(=O)(=O)Nc1ccc(CN2CCN3CC2CCC3C(c2ccccc2)c2ccccc2)cc1 |TLB:15:16:20:24.23.22,THB:25:24:20:16.18.17| Show InChI InChI=1S/C33H34ClN3O2S/c34-28-13-18-31(19-14-28)40(38,39)35-29-15-11-25(12-16-29)23-36-21-22-37-24-30(36)17-20-32(37)33(26-7-3-1-4-8-26)27-9-5-2-6-10-27/h1-16,18-19,30,32-33,35H,17,20-24H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	371	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of [3H]WIN-35428 binding to dopamine transporter of rat striatum				J Med Chem 47: 5101-13 (2004) Article DOI: 10.1021/jm049796t BindingDB Entry DOI: 10.7270/Q2HQ40P0
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50154243 (4-[(6-Benzhydryl-piperidin-3-ylamino)-methyl]-benz...) Show SMILES N#Cc1ccc(CNC2CCC(NC2)C(c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C26H27N3/c27-17-20-11-13-21(14-12-20)18-28-24-15-16-25(29-19-24)26(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-14,24-26,28-29H,15-16,18-19H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	434	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of [3H]citalopram binding to serotonin transporter of rat cerebral cortex				J Med Chem 47: 5101-13 (2004) Article DOI: 10.1021/jm049796t BindingDB Entry DOI: 10.7270/Q2HQ40P0
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM22165 (1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...) Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	496	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of [3H]nisoxetine binding to norepinephrine transporter of rat cerebral cortex				J Med Chem 47: 5101-13 (2004) Article DOI: 10.1021/jm049796t BindingDB Entry DOI: 10.7270/Q2HQ40P0
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM22165 (1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...) Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	496	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Binding affinity at the norepinephrine transporter in rat striatum by [3H]nisoxetine displacement.				J Med Chem 46: 2205-15 (2003) Article DOI: 10.1021/jm020561w BindingDB Entry DOI: 10.7270/Q24X58H3
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM22165 (1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...) Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	496	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Binding affinity towards norepinephrine transporter in rat striatum using [3H]nisoxetine as radioligand				J Med Chem 46: 1220-8 (2003) Article DOI: 10.1021/jm020275k BindingDB Entry DOI: 10.7270/Q2CZ37XT
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50154241 (8-Benzhydryl-4-[2-(4-fluoro-phenyl)-ethyl]-1,4-dia...) Show SMILES Fc1ccc(CCN2CCN3CC2CCC3C(c2ccccc2)c2ccccc2)cc1 |TLB:6:7:11:15.14.13,THB:16:15:11:7.9.8| Show InChI InChI=1S/C28H31FN2/c29-25-13-11-22(12-14-25)17-18-30-19-20-31-21-26(30)15-16-27(31)28(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,26-28H,15-21H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	565	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of [3H]WIN-35428 binding to dopamine transporter of rat striatum				J Med Chem 47: 5101-13 (2004) Article DOI: 10.1021/jm049796t BindingDB Entry DOI: 10.7270/Q2HQ40P0
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50154238 (4-(8-Benzhydryl-1,4-diaza-bicyclo[3.3.1]non-4-yl)-...) Show SMILES Oc1ccc(cc1)N1CCN2CC1CCC2C(c1ccccc1)c1ccccc1 |TLB:4:7:11:15.14.13,THB:16:15:11:7.8.9| Show InChI InChI=1S/C26H28N2O/c29-24-14-11-22(12-15-24)28-18-17-27-19-23(28)13-16-25(27)26(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-12,14-15,23,25-26,29H,13,16-19H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	581	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of [3H]WIN-35428 binding to dopamine transporter of rat striatum				J Med Chem 47: 5101-13 (2004) Article DOI: 10.1021/jm049796t BindingDB Entry DOI: 10.7270/Q2HQ40P0
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50125900 (CHEMBL20362 | Propionic acid (3S,4S)-4-(2-benzhydr...) Show SMILES CCC(=O)O[C@@H]1CN(Cc2ccc(F)cc2)CC[C@H]1CCOC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C30H34FNO3/c1-2-29(33)35-28-22-32(21-23-13-15-27(31)16-14-23)19-17-24(28)18-20-34-30(25-9-5-3-6-10-25)26-11-7-4-8-12-26/h3-16,24,28,30H,2,17-22H2,1H3/t24-,28+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	583	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Binding affinity towards dopamine transporter in rat striatum using [3H]WIN-35 428 as radioligand				J Med Chem 46: 1220-8 (2003) Article DOI: 10.1021/jm020275k BindingDB Entry DOI: 10.7270/Q2CZ37XT
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50154230 (8-Benzhydryl-4-naphthalen-2-yl-1,4-diaza-bicyclo[3...) Show SMILES C1CC(C(c2ccccc2)c2ccccc2)N2CCN(C1C2)c1ccc2ccccc2c1 |THB:22:19:21:2.1.0,3:2:21:19.18.17| Show InChI InChI=1S/C30H30N2/c1-3-10-24(11-4-1)30(25-12-5-2-6-13-25)29-18-17-28-22-31(29)19-20-32(28)27-16-15-23-9-7-8-14-26(23)21-27/h1-16,21,28-30H,17-20,22H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	672	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of [3H]citalopram binding to serotonin transporter of rat cerebral cortex				J Med Chem 47: 5101-13 (2004) Article DOI: 10.1021/jm049796t BindingDB Entry DOI: 10.7270/Q2HQ40P0
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50084717 ((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7| Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	737	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Binding affinity towards serotonin transporter in rat striatum using [3H]citalopram as radioligand				J Med Chem 46: 1220-8 (2003) Article DOI: 10.1021/jm020275k BindingDB Entry DOI: 10.7270/Q2CZ37XT
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50084717 ((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7| Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	737	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Binding affinity at serotonin transporter in rat striatum by [3H]citalopram displacement.				J Med Chem 46: 2205-15 (2003) Article DOI: 10.1021/jm020561w BindingDB Entry DOI: 10.7270/Q24X58H3
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50084717 ((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7| Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	737	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of [3H]citalopram binding to serotonin transporter of rat cerebral cortex				J Med Chem 47: 5101-13 (2004) Article DOI: 10.1021/jm049796t BindingDB Entry DOI: 10.7270/Q2HQ40P0
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50154242 (8-Benzhydryl-4-naphthalen-1-yl-1,4-diaza-bicyclo[3...) Show SMILES C1CC(C(c2ccccc2)c2ccccc2)N2CCN(C1C2)c1cccc2ccccc12 |THB:22:19:21:2.1.0,3:2:21:19.18.17| Show InChI InChI=1S/C30H30N2/c1-3-11-24(12-4-1)30(25-13-5-2-6-14-25)29-19-18-26-22-31(29)20-21-32(26)28-17-9-15-23-10-7-8-16-27(23)28/h1-17,26,29-30H,18-22H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	958	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of [3H]WIN-35428 binding to dopamine transporter of rat striatum				J Med Chem 47: 5101-13 (2004) Article DOI: 10.1021/jm049796t BindingDB Entry DOI: 10.7270/Q2HQ40P0
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50154228 ((6-Benzhydryl-piperidin-3-yl)-(4-methoxy-benzyl)-a...) Show SMILES COc1ccc(CNC2CCC(NC2)C(c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C26H30N2O/c1-29-24-15-12-20(13-16-24)18-27-23-14-17-25(28-19-23)26(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-13,15-16,23,25-28H,14,17-19H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of [3H]citalopram binding to serotonin transporter of rat cerebral cortex				J Med Chem 47: 5101-13 (2004) Article DOI: 10.1021/jm049796t BindingDB Entry DOI: 10.7270/Q2HQ40P0
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50154242 (8-Benzhydryl-4-naphthalen-1-yl-1,4-diaza-bicyclo[3...) Show SMILES C1CC(C(c2ccccc2)c2ccccc2)N2CCN(C1C2)c1cccc2ccccc12 |THB:22:19:21:2.1.0,3:2:21:19.18.17| Show InChI InChI=1S/C30H30N2/c1-3-11-24(12-4-1)30(25-13-5-2-6-14-25)29-19-18-26-22-31(29)20-21-32(26)28-17-9-15-23-10-7-8-16-27(23)28/h1-17,26,29-30H,18-22H2	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of [3H]nisoxetine binding to norepinephrine transporter of rat cerebral cortex				J Med Chem 47: 5101-13 (2004) Article DOI: 10.1021/jm049796t BindingDB Entry DOI: 10.7270/Q2HQ40P0
					More data for this Ligand-Target Pair

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