Compile Data Set for Download or QSAR

Found 70 hits with Last Name = 'zanettini' and Initial = 'c'   

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))	BDBM50175155 (2-(3-(bis(4-fluorophenyl)methoxy)-8-aza-bicyclo[3....) Show SMILES NCCN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:2:3:5.6:8.10.9,THB:11:9:5.6:3| Show InChI InChI=1S/C22H26F2N2O/c23-17-5-1-15(2-6-17)22(16-3-7-18(24)8-4-16)27-21-13-19-9-10-20(14-21)26(19)12-11-25/h1-8,19-22H,9-14,25H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from Sprague-Dawley rat brain DAT after 120 mins by liquid scintillation counting method				J Med Chem 60: 10172-10187 (2017) Article DOI: 10.1021/acs.jmedchem.7b01454 BindingDB Entry DOI: 10.7270/Q2NG4T2P
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50138641 (2-[3-(4-Chloro-phenyl)-isoxazol-5-yl]-8-methyl-3-p...) Show SMILES CN1C2CCC1C(C(C2)c1ccc(C)cc1)c1cc(no1)-c1ccc(Cl)cc1 |TLB:16:6:1:4.3,9:7:1:4.3| Show InChI InChI=1S/C24H25ClN2O/c1-15-3-5-16(6-4-15)20-13-19-11-12-22(27(19)2)24(20)23-14-21(26-28-23)17-7-9-18(25)10-8-17/h3-10,14,19-20,22,24H,11-13H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from Sprague-Dawley rat brain DAT after 120 mins by liquid scintillation counting method				J Med Chem 60: 10172-10187 (2017) Article DOI: 10.1021/acs.jmedchem.7b01454 BindingDB Entry DOI: 10.7270/Q2NG4T2P
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50138641 (2-[3-(4-Chloro-phenyl)-isoxazol-5-yl]-8-methyl-3-p...) Show SMILES CN1C2CCC1C(C(C2)c1ccc(C)cc1)c1cc(no1)-c1ccc(Cl)cc1 |TLB:16:6:1:4.3,9:7:1:4.3| Show InChI InChI=1S/C24H25ClN2O/c1-15-3-5-16(6-4-15)20-13-19-11-12-22(27(19)2)24(20)23-14-21(26-28-23)17-7-9-18(25)10-8-17/h3-10,14,19-20,22,24H,11-13H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Inhibition of [3H]DA uptake at wild type human DAT expressed in African green monkey COS7 cells after 5 mins by beta scintillation counting method				J Med Chem 60: 10172-10187 (2017) Article DOI: 10.1021/acs.jmedchem.7b01454 BindingDB Entry DOI: 10.7270/Q2NG4T2P
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50247032 (CHEMBL4062435) Show SMILES CN(C)CCN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |@:11,THB:13:11:5:7.8| Show InChI InChI=1S/C24H30F2N2O/c1-27(2)13-14-28-21-11-12-22(28)16-23(15-21)29-24(17-3-7-19(25)8-4-17)18-5-9-20(26)10-6-18/h3-10,21-24H,11-16H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Inhibition of [3H]WIN5428 uptake at wild type human DAT expressed in African green monkey COS7 cells after 90 mins				J Med Chem 60: 10172-10187 (2017) Article DOI: 10.1021/acs.jmedchem.7b01454 BindingDB Entry DOI: 10.7270/Q2NG4T2P
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50138650 (3-(4-Chloro-phenyl)-8-methyl-2-(3-p-tolyl-isoxazol...) Show SMILES CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)c1cc(no1)-c1ccc(C)cc1 |TLB:16:6:1:4.3,9:7:1:4.3| Show InChI InChI=1S/C24H25ClN2O/c1-15-3-5-17(6-4-15)21-14-23(28-26-21)24-20(16-7-9-18(25)10-8-16)13-19-11-12-22(24)27(19)2/h3-10,14,19-20,22,24H,11-13H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from Sprague-Dawley rat brain DAT after 120 mins by liquid scintillation counting method				J Med Chem 60: 10172-10187 (2017) Article DOI: 10.1021/acs.jmedchem.7b01454 BindingDB Entry DOI: 10.7270/Q2NG4T2P
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50247040 (CHEMBL4082578) Show SMILES Fc1ccc(cc1)C(NC1CC2CCC(C1)N2CCN1CCCCC1)c1ccc(F)cc1 |@@:9,TLB:8:9:16:12.13| Show InChI InChI=1S/C27H35F2N3/c28-22-8-4-20(5-9-22)27(21-6-10-23(29)11-7-21)30-24-18-25-12-13-26(19-24)32(25)17-16-31-14-2-1-3-15-31/h4-11,24-27,30H,1-3,12-19H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from Sprague-Dawley rat brain DAT after 120 mins by liquid scintillation counting method				J Med Chem 60: 10172-10187 (2017) Article DOI: 10.1021/acs.jmedchem.7b01454 BindingDB Entry DOI: 10.7270/Q2NG4T2P
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50247026 (CHEMBL4077089) Show SMILES CCOC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2CC1CC1 |r,TLB:12:11:8.7:28,THB:3:5:8.7:28| Show InChI InChI=1S/C27H31F2NO3/c1-2-32-27(31)25-23-14-13-22(30(23)16-17-3-4-17)15-24(25)33-26(18-5-9-20(28)10-6-18)19-7-11-21(29)12-8-19/h5-12,17,22-26H,2-4,13-16H2,1H3/t22?,23?,24-,25+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	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
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from Sprague-Dawley rat brain DAT after 120 mins by liquid scintillation counting method				J Med Chem 60: 10172-10187 (2017) Article DOI: 10.1021/acs.jmedchem.7b01454 BindingDB Entry DOI: 10.7270/Q2NG4T2P
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50247032 (CHEMBL4062435) Show SMILES CN(C)CCN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |@:11,THB:13:11:5:7.8| Show InChI InChI=1S/C24H30F2N2O/c1-27(2)13-14-28-21-11-12-22(28)16-23(15-21)29-24(17-3-7-19(25)8-4-17)18-5-9-20(26)10-6-18/h3-10,21-24H,11-16H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	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
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from Sprague-Dawley rat brain DAT after 120 mins by liquid scintillation counting method				J Med Chem 60: 10172-10187 (2017) Article DOI: 10.1021/acs.jmedchem.7b01454 BindingDB Entry DOI: 10.7270/Q2NG4T2P
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50247030 (CHEMBL4100591) Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCN1CCCCC1)c1ccc(F)cc1 |@@:9,TLB:8:9:16:12.13| Show InChI InChI=1S/C27H34F2N2O/c28-22-8-4-20(5-9-22)27(21-6-10-23(29)11-7-21)32-26-18-24-12-13-25(19-26)31(24)17-16-30-14-2-1-3-15-30/h4-11,24-27H,1-3,12-19H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from Sprague-Dawley rat brain DAT after 120 mins by liquid scintillation counting method				J Med Chem 60: 10172-10187 (2017) Article DOI: 10.1021/acs.jmedchem.7b01454 BindingDB Entry DOI: 10.7270/Q2NG4T2P
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50086042 ((R)-1-{3-[Bis-(4-fluoro-phenyl)-methoxy]-8-aza-bic...) Show SMILES CC(C)[C@@H](N)CN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |THB:14:12:6:8.9| Show InChI InChI=1S/C25H32F2N2O/c1-16(2)24(28)15-29-21-11-12-22(29)14-23(13-21)30-25(17-3-7-19(26)8-4-17)18-5-9-20(27)10-6-18/h3-10,16,21-25H,11-15,28H2,1-2H3/t21?,22?,23?,24-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from Sprague-Dawley rat brain DAT after 120 mins by liquid scintillation counting method				J Med Chem 60: 10172-10187 (2017) Article DOI: 10.1021/acs.jmedchem.7b01454 BindingDB Entry DOI: 10.7270/Q2NG4T2P
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50247023 (CHEMBL4070531) Show SMILES CN(C)CCN1C2CCC1[C@@H](C=C)[C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |r,TLB:11:10:5:8.7,THB:15:13:5:8.7| Show InChI InChI=1S/C26H32F2N2O/c1-4-23-24-14-13-22(30(24)16-15-29(2)3)17-25(23)31-26(18-5-9-20(27)10-6-18)19-7-11-21(28)12-8-19/h4-12,22-26H,1,13-17H2,2-3H3/t22?,23-,24?,25+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from Sprague-Dawley rat brain DAT after 120 mins by liquid scintillation counting method				J Med Chem 60: 10172-10187 (2017) Article DOI: 10.1021/acs.jmedchem.7b01454 BindingDB Entry DOI: 10.7270/Q2NG4T2P
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50247031 (CHEMBL4090416) Show SMILES CN(C)CCN1C2CCC1CC(C2)NC(c1ccc(F)cc1)c1ccc(F)cc1 |@:11,THB:13:11:5:7.8| Show InChI InChI=1S/C24H31F2N3/c1-28(2)13-14-29-22-11-12-23(29)16-21(15-22)27-24(17-3-7-19(25)8-4-17)18-5-9-20(26)10-6-18/h3-10,21-24,27H,11-16H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from Sprague-Dawley rat brain DAT after 120 mins by liquid scintillation counting method				J Med Chem 60: 10172-10187 (2017) Article DOI: 10.1021/acs.jmedchem.7b01454 BindingDB Entry DOI: 10.7270/Q2NG4T2P
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50247043 (CHEMBL4074774) Show SMILES CN1C2CCC1[C@H]([C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)c1cc(no1)-c1ccccc1 |r,TLB:25:6:1:3.4,THB:9:7:1:3.4| Show InChI InChI=1S/C30H28F2N2O2/c1-34-24-15-16-26(34)29(28-18-25(33-36-28)19-5-3-2-4-6-19)27(17-24)35-30(20-7-11-22(31)12-8-20)21-9-13-23(32)14-10-21/h2-14,18,24,26-27,29-30H,15-17H2,1H3/t24?,26?,27-,29+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from Sprague-Dawley rat brain DAT after 120 mins by liquid scintillation counting method				J Med Chem 60: 10172-10187 (2017) Article DOI: 10.1021/acs.jmedchem.7b01454 BindingDB Entry DOI: 10.7270/Q2NG4T2P
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50247043 (CHEMBL4074774) Show SMILES CN1C2CCC1[C@H]([C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)c1cc(no1)-c1ccccc1 |r,TLB:25:6:1:3.4,THB:9:7:1:3.4| Show InChI InChI=1S/C30H28F2N2O2/c1-34-24-15-16-26(34)29(28-18-25(33-36-28)19-5-3-2-4-6-19)27(17-24)35-30(20-7-11-22(31)12-8-20)21-9-13-23(32)14-10-21/h2-14,18,24,26-27,29-30H,15-17H2,1H3/t24?,26?,27-,29+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	14.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from Sprague-Dawley rat brain DAT after 120 mins by liquid scintillation counting method				J Med Chem 60: 10172-10187 (2017) Article DOI: 10.1021/acs.jmedchem.7b01454 BindingDB Entry DOI: 10.7270/Q2NG4T2P
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50138650 (3-(4-Chloro-phenyl)-8-methyl-2-(3-p-tolyl-isoxazol...) Show SMILES CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)c1cc(no1)-c1ccc(C)cc1 |TLB:16:6:1:4.3,9:7:1:4.3| Show InChI InChI=1S/C24H25ClN2O/c1-15-3-5-17(6-4-15)21-14-23(28-26-21)24-20(16-7-9-18(25)10-8-16)13-19-11-12-22(24)27(19)2/h3-10,14,19-20,22,24H,11-13H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Inhibition of [3H]DA uptake at wild type human DAT expressed in African green monkey COS7 cells after 5 mins by beta scintillation counting method				J Med Chem 60: 10172-10187 (2017) Article DOI: 10.1021/acs.jmedchem.7b01454 BindingDB Entry DOI: 10.7270/Q2NG4T2P
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50247031 (CHEMBL4090416) Show SMILES CN(C)CCN1C2CCC1CC(C2)NC(c1ccc(F)cc1)c1ccc(F)cc1 |@:11,THB:13:11:5:7.8| Show InChI InChI=1S/C24H31F2N3/c1-28(2)13-14-29-22-11-12-23(29)16-21(15-22)27-24(17-3-7-19(25)8-4-17)18-5-9-20(26)10-6-18/h3-10,21-24,27H,11-16H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Inhibition of [3H]WIN5428 uptake at wild type human DAT expressed in African green monkey COS7 cells after 90 mins				J Med Chem 60: 10172-10187 (2017) Article DOI: 10.1021/acs.jmedchem.7b01454 BindingDB Entry DOI: 10.7270/Q2NG4T2P
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50247024 (CHEMBL4097211) Show SMILES CCOC(=O)[C@@H]1C2CCC(C[C@@H]1NC(c1ccc(F)cc1)c1ccc(F)cc1)N2CCN |r,TLB:12:11:28:7.8,THB:3:5:28:7.8| Show InChI InChI=1S/C25H31F2N3O2/c1-2-32-25(31)23-21(15-20-11-12-22(23)30(20)14-13-28)29-24(16-3-7-18(26)8-4-16)17-5-9-19(27)10-6-17/h3-10,20-24,29H,2,11-15,28H2,1H3/t20?,21-,22?,23-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from Sprague-Dawley rat brain DAT after 120 mins by liquid scintillation counting method				J Med Chem 60: 10172-10187 (2017) Article DOI: 10.1021/acs.jmedchem.7b01454 BindingDB Entry DOI: 10.7270/Q2NG4T2P
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50247027 (CHEMBL4092855) Show SMILES CC(C)[C@@H](N)CN1C2CCC1CC(C2)NC(c1ccc(F)cc1)c1ccc(F)cc1 |r,@:12,THB:14:12:6:8.9| Show InChI InChI=1S/C25H33F2N3/c1-16(2)24(28)15-30-22-11-12-23(30)14-21(13-22)29-25(17-3-7-19(26)8-4-17)18-5-9-20(27)10-6-18/h3-10,16,21-25,29H,11-15,28H2,1-2H3/t21?,22?,23?,24-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from Sprague-Dawley rat brain DAT after 120 mins by liquid scintillation counting method				J Med Chem 60: 10172-10187 (2017) Article DOI: 10.1021/acs.jmedchem.7b01454 BindingDB Entry DOI: 10.7270/Q2NG4T2P
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50175157 (CHEMBL371932 | N-(bis(4-fluorophenyl)methyl)-8-but...) Show SMILES CCCCN1C2CCC1CC(C2)NC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:3:4:6.7:9.11.10,THB:12:10:6.7:4| Show InChI InChI=1S/C24H30F2N2/c1-2-3-14-28-22-12-13-23(28)16-21(15-22)27-24(17-4-8-19(25)9-5-17)18-6-10-20(26)11-7-18/h4-11,21-24,27H,2-3,12-16H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Inhibition of [3H]WIN5428 uptake at wild type human DAT expressed in African green monkey COS7 cells after 90 mins				J Med Chem 60: 10172-10187 (2017) Article DOI: 10.1021/acs.jmedchem.7b01454 BindingDB Entry DOI: 10.7270/Q2NG4T2P
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50061881 (3-[Bis-(4-fluoro-phenyl)-methoxy]-8-cyclopropylmet...) Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CC1CC1)c1ccc(F)cc1 |TLB:8:9:16:12.13| Show InChI InChI=1S/C24H27F2NO/c25-19-7-3-17(4-8-19)24(18-5-9-20(26)10-6-18)28-23-13-21-11-12-22(14-23)27(21)15-16-1-2-16/h3-10,16,21-24H,1-2,11-15H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from Sprague-Dawley rat brain DAT after 120 mins by liquid scintillation counting method				J Med Chem 60: 10172-10187 (2017) Article DOI: 10.1021/acs.jmedchem.7b01454 BindingDB Entry DOI: 10.7270/Q2NG4T2P
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50247039 (CHEMBL4085107) Show SMILES CCOC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2CCc1c[nH]c2ccccc12 |r,TLB:12:11:28:7.8,THB:3:5:28:7.8| Show InChI InChI=1S/C33H34F2N2O3/c1-2-39-33(38)31-29-16-15-26(37(29)18-17-23-20-36-28-6-4-3-5-27(23)28)19-30(31)40-32(21-7-11-24(34)12-8-21)22-9-13-25(35)14-10-22/h3-14,20,26,29-32,36H,2,15-19H2,1H3/t26?,29?,30-,31+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from Sprague-Dawley rat brain DAT after 120 mins by liquid scintillation counting method				J Med Chem 60: 10172-10187 (2017) Article DOI: 10.1021/acs.jmedchem.7b01454 BindingDB Entry DOI: 10.7270/Q2NG4T2P
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50138641 (2-[3-(4-Chloro-phenyl)-isoxazol-5-yl]-8-methyl-3-p...) Show SMILES CN1C2CCC1C(C(C2)c1ccc(C)cc1)c1cc(no1)-c1ccc(Cl)cc1 |TLB:16:6:1:4.3,9:7:1:4.3| Show InChI InChI=1S/C24H25ClN2O/c1-15-3-5-16(6-4-15)20-13-19-11-12-22(27(19)2)24(20)23-14-21(26-28-23)17-7-9-18(25)10-8-17/h3-10,14,19-20,22,24H,11-13H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Inhibition of [3H]WIN5428 uptake at wild type human DAT expressed in African green monkey COS7 cells after 90 mins				J Med Chem 60: 10172-10187 (2017) Article DOI: 10.1021/acs.jmedchem.7b01454 BindingDB Entry DOI: 10.7270/Q2NG4T2P
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50175159 (3-(2-{3-[Bis-(4-fluoro-phenyl)-methoxy]-8-aza-bicy...) Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCc1c[nH]c2ccccc12)c1ccc(F)cc1 |TLB:8:9:12.13:16,17:16:12.13:15.10.9| Show InChI InChI=1S/C30H30F2N2O/c31-23-9-5-20(6-10-23)30(21-7-11-24(32)12-8-21)35-27-17-25-13-14-26(18-27)34(25)16-15-22-19-33-29-4-2-1-3-28(22)29/h1-12,19,25-27,30,33H,13-18H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from Sprague-Dawley rat brain DAT after 120 mins by liquid scintillation counting method				J Med Chem 60: 10172-10187 (2017) Article DOI: 10.1021/acs.jmedchem.7b01454 BindingDB Entry DOI: 10.7270/Q2NG4T2P
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50138650 (3-(4-Chloro-phenyl)-8-methyl-2-(3-p-tolyl-isoxazol...) Show SMILES CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)c1cc(no1)-c1ccc(C)cc1 |TLB:16:6:1:4.3,9:7:1:4.3| Show InChI InChI=1S/C24H25ClN2O/c1-15-3-5-17(6-4-15)21-14-23(28-26-21)24-20(16-7-9-18(25)10-8-16)13-19-11-12-22(24)27(19)2/h3-10,14,19-20,22,24H,11-13H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Inhibition of [3H]WIN5428 uptake at wild type human DAT expressed in African green monkey COS7 cells after 90 mins				J Med Chem 60: 10172-10187 (2017) Article DOI: 10.1021/acs.jmedchem.7b01454 BindingDB Entry DOI: 10.7270/Q2NG4T2P
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50247031 (CHEMBL4090416) Show SMILES CN(C)CCN1C2CCC1CC(C2)NC(c1ccc(F)cc1)c1ccc(F)cc1 |@:11,THB:13:11:5:7.8| Show InChI InChI=1S/C24H31F2N3/c1-28(2)13-14-29-22-11-12-23(29)16-21(15-22)27-24(17-3-7-19(25)8-4-17)18-5-9-20(26)10-6-18/h3-10,21-24,27H,11-16H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Inhibition of [3H]DA uptake at wild type human DAT expressed in African green monkey COS7 cells after 5 mins by beta scintillation counting method				J Med Chem 60: 10172-10187 (2017) Article DOI: 10.1021/acs.jmedchem.7b01454 BindingDB Entry DOI: 10.7270/Q2NG4T2P
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50247032 (CHEMBL4062435) Show SMILES CN(C)CCN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |@:11,THB:13:11:5:7.8| Show InChI InChI=1S/C24H30F2N2O/c1-27(2)13-14-28-21-11-12-22(28)16-23(15-21)29-24(17-3-7-19(25)8-4-17)18-5-9-20(26)10-6-18/h3-10,21-24H,11-16H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Inhibition of [3H]DA uptake at wild type human DAT expressed in African green monkey COS7 cells after 5 mins by beta scintillation counting method				J Med Chem 60: 10172-10187 (2017) Article DOI: 10.1021/acs.jmedchem.7b01454 BindingDB Entry DOI: 10.7270/Q2NG4T2P
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50247025 (CHEMBL4063478) Show SMILES CCOC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C[C@H](N)C(C)C |r,TLB:12:11:28:7.8,THB:3:5:28:7.8| Show InChI InChI=1S/C28H36F2N2O3/c1-4-34-28(33)26-24-14-13-22(32(24)16-23(31)17(2)3)15-25(26)35-27(18-5-9-20(29)10-6-18)19-7-11-21(30)12-8-19/h5-12,17,22-27H,4,13-16,31H2,1-3H3/t22?,23-,24?,25-,26+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from Sprague-Dawley rat brain DAT after 120 mins by liquid scintillation counting method				J Med Chem 60: 10172-10187 (2017) Article DOI: 10.1021/acs.jmedchem.7b01454 BindingDB Entry DOI: 10.7270/Q2NG4T2P
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50175157 (CHEMBL371932 | N-(bis(4-fluorophenyl)methyl)-8-but...) Show SMILES CCCCN1C2CCC1CC(C2)NC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:3:4:6.7:9.11.10,THB:12:10:6.7:4| Show InChI InChI=1S/C24H30F2N2/c1-2-3-14-28-22-12-13-23(28)16-21(15-22)27-24(17-4-8-19(25)9-5-17)18-6-10-20(26)11-7-18/h4-11,21-24,27H,2-3,12-16H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Inhibition of [3H]DA uptake at wild type human DAT expressed in African green monkey COS7 cells after 5 mins by beta scintillation counting method				J Med Chem 60: 10172-10187 (2017) Article DOI: 10.1021/acs.jmedchem.7b01454 BindingDB Entry DOI: 10.7270/Q2NG4T2P
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50247068 (CHEMBL4085035) Show SMILES CN1C2CCC1[C@H]([C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)c1cc(no1)-c1ccc(Cl)cc1 |r,TLB:25:6:1:3.4,THB:9:7:1:3.4| Show InChI InChI=1S/C30H27ClF2N2O2/c1-35-24-14-15-26(35)29(28-17-25(34-37-28)18-2-8-21(31)9-3-18)27(16-24)36-30(19-4-10-22(32)11-5-19)20-6-12-23(33)13-7-20/h2-13,17,24,26-27,29-30H,14-16H2,1H3/t24?,26?,27-,29+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	67	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from Sprague-Dawley rat brain DAT after 120 mins by liquid scintillation counting method				J Med Chem 60: 10172-10187 (2017) Article DOI: 10.1021/acs.jmedchem.7b01454 BindingDB Entry DOI: 10.7270/Q2NG4T2P
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50247041 (CHEMBL4063396) Show SMILES CN1C2CCC1[C@H]([C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)c1cc(no1)-c1ccc(F)cc1 |r,TLB:25:6:1:3.4,THB:9:7:1:3.4| Show InChI InChI=1S/C30H27F3N2O2/c1-35-24-14-15-26(35)29(28-17-25(34-37-28)18-2-8-21(31)9-3-18)27(16-24)36-30(19-4-10-22(32)11-5-19)20-6-12-23(33)13-7-20/h2-13,17,24,26-27,29-30H,14-16H2,1H3/t24?,26?,27-,29+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from Sprague-Dawley rat brain DAT after 120 mins by liquid scintillation counting method				J Med Chem 60: 10172-10187 (2017) Article DOI: 10.1021/acs.jmedchem.7b01454 BindingDB Entry DOI: 10.7270/Q2NG4T2P
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50086042 ((R)-1-{3-[Bis-(4-fluoro-phenyl)-methoxy]-8-aza-bic...) Show SMILES CC(C)[C@@H](N)CN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |THB:14:12:6:8.9| Show InChI InChI=1S/C25H32F2N2O/c1-16(2)24(28)15-29-21-11-12-22(29)14-23(13-21)30-25(17-3-7-19(26)8-4-17)18-5-9-20(27)10-6-18/h3-10,16,21-25H,11-15,28H2,1-2H3/t21?,22?,23?,24-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	81	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Inhibition of [3H]WIN5428 uptake at wild type human DAT expressed in African green monkey COS7 cells after 90 mins				J Med Chem 60: 10172-10187 (2017) Article DOI: 10.1021/acs.jmedchem.7b01454 BindingDB Entry DOI: 10.7270/Q2NG4T2P
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50247042 (CHEMBL4101457) Show SMILES CN1C2CCC1[C@H]([C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)c1cc(no1)-c1ccc(C)cc1 |r,TLB:25:6:1:3.4,THB:9:7:1:3.4| Show InChI InChI=1S/C31H30F2N2O2/c1-19-3-5-20(6-4-19)26-18-29(37-34-26)30-27-16-15-25(35(27)2)17-28(30)36-31(21-7-11-23(32)12-8-21)22-9-13-24(33)14-10-22/h3-14,18,25,27-28,30-31H,15-17H2,1-2H3/t25?,27?,28-,30+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from Sprague-Dawley rat brain DAT after 120 mins by liquid scintillation counting method				J Med Chem 60: 10172-10187 (2017) Article DOI: 10.1021/acs.jmedchem.7b01454 BindingDB Entry DOI: 10.7270/Q2NG4T2P
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50086042 ((R)-1-{3-[Bis-(4-fluoro-phenyl)-methoxy]-8-aza-bic...) Show SMILES CC(C)[C@@H](N)CN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |THB:14:12:6:8.9| Show InChI InChI=1S/C25H32F2N2O/c1-16(2)24(28)15-29-21-11-12-22(29)14-23(13-21)30-25(17-3-7-19(26)8-4-17)18-5-9-20(27)10-6-18/h3-10,16,21-25H,11-15,28H2,1-2H3/t21?,22?,23?,24-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	133	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Inhibition of [3H]DA uptake at wild type human DAT expressed in African green monkey COS7 cells after 5 mins by beta scintillation counting method				J Med Chem 60: 10172-10187 (2017) Article DOI: 10.1021/acs.jmedchem.7b01454 BindingDB Entry DOI: 10.7270/Q2NG4T2P
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50247039 (CHEMBL4085107) Show SMILES CCOC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2CCc1c[nH]c2ccccc12 |r,TLB:12:11:28:7.8,THB:3:5:28:7.8| Show InChI InChI=1S/C33H34F2N2O3/c1-2-39-33(38)31-29-16-15-26(37(29)18-17-23-20-36-28-6-4-3-5-27(23)28)19-30(31)40-32(21-7-11-24(34)12-8-21)22-9-13-25(35)14-10-22/h3-14,20,26,29-32,36H,2,15-19H2,1H3/t26?,29?,30-,31+/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	147	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Inhibition of [3H]WIN5428 uptake at wild type human DAT expressed in African green monkey COS7 cells after 90 mins				J Med Chem 60: 10172-10187 (2017) Article DOI: 10.1021/acs.jmedchem.7b01454 BindingDB Entry DOI: 10.7270/Q2NG4T2P
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50061885 (3-[Bis-(4-fluoro-phenyl)-methoxy]-8-butyl-8-aza-bi...) Show SMILES CCCCN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |THB:12:10:4:6.7| Show InChI InChI=1S/C24H29F2NO/c1-2-3-14-27-21-12-13-22(27)16-23(15-21)28-24(17-4-8-19(25)9-5-17)18-6-10-20(26)11-7-18/h4-11,21-24H,2-3,12-16H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	161	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Inhibition of [3H]DA uptake at wild type human DAT expressed in African green monkey COS7 cells after 5 mins by beta scintillation counting method				J Med Chem 60: 10172-10187 (2017) Article DOI: 10.1021/acs.jmedchem.7b01454 BindingDB Entry DOI: 10.7270/Q2NG4T2P
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50247025 (CHEMBL4063478) Show SMILES CCOC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C[C@H](N)C(C)C |r,TLB:12:11:28:7.8,THB:3:5:28:7.8| Show InChI InChI=1S/C28H36F2N2O3/c1-4-34-28(33)26-24-14-13-22(32(24)16-23(31)17(2)3)15-25(26)35-27(18-5-9-20(29)10-6-18)19-7-11-21(30)12-8-19/h5-12,17,22-27H,4,13-16,31H2,1-3H3/t22?,23-,24?,25-,26+/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	221	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Inhibition of [3H]WIN5428 uptake at wild type human DAT expressed in African green monkey COS7 cells after 90 mins				J Med Chem 60: 10172-10187 (2017) Article DOI: 10.1021/acs.jmedchem.7b01454 BindingDB Entry DOI: 10.7270/Q2NG4T2P
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50175159 (3-(2-{3-[Bis-(4-fluoro-phenyl)-methoxy]-8-aza-bicy...) Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCc1c[nH]c2ccccc12)c1ccc(F)cc1 |TLB:8:9:12.13:16,17:16:12.13:15.10.9| Show InChI InChI=1S/C30H30F2N2O/c31-23-9-5-20(6-10-23)30(21-7-11-24(32)12-8-21)35-27-17-25-13-14-26(18-27)34(25)16-15-22-19-33-29-4-2-1-3-28(22)29/h1-12,19,25-27,30,33H,13-18H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	253	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Inhibition of [3H]WIN5428 uptake at wild type human DAT expressed in African green monkey COS7 cells after 90 mins				J Med Chem 60: 10172-10187 (2017) Article DOI: 10.1021/acs.jmedchem.7b01454 BindingDB Entry DOI: 10.7270/Q2NG4T2P
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50175159 (3-(2-{3-[Bis-(4-fluoro-phenyl)-methoxy]-8-aza-bicy...) Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCc1c[nH]c2ccccc12)c1ccc(F)cc1 |TLB:8:9:12.13:16,17:16:12.13:15.10.9| Show InChI InChI=1S/C30H30F2N2O/c31-23-9-5-20(6-10-23)30(21-7-11-24(32)12-8-21)35-27-17-25-13-14-26(18-27)34(25)16-15-22-19-33-29-4-2-1-3-28(22)29/h1-12,19,25-27,30,33H,13-18H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from Sprague-Dawley rat brain SERT after 60 mins by liquid scintillation counting method				J Med Chem 60: 10172-10187 (2017) Article DOI: 10.1021/acs.jmedchem.7b01454 BindingDB Entry DOI: 10.7270/Q2NG4T2P
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50247039 (CHEMBL4085107) Show SMILES CCOC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2CCc1c[nH]c2ccccc12 |r,TLB:12:11:28:7.8,THB:3:5:28:7.8| Show InChI InChI=1S/C33H34F2N2O3/c1-2-39-33(38)31-29-16-15-26(37(29)18-17-23-20-36-28-6-4-3-5-27(23)28)19-30(31)40-32(21-7-11-24(34)12-8-21)22-9-13-25(35)14-10-22/h3-14,20,26,29-32,36H,2,15-19H2,1H3/t26?,29?,30-,31+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	746	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from Sprague-Dawley rat brain SERT after 60 mins by liquid scintillation counting method				J Med Chem 60: 10172-10187 (2017) Article DOI: 10.1021/acs.jmedchem.7b01454 BindingDB Entry DOI: 10.7270/Q2NG4T2P
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50247068 (CHEMBL4085035) Show SMILES CN1C2CCC1[C@H]([C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)c1cc(no1)-c1ccc(Cl)cc1 |r,TLB:25:6:1:3.4,THB:9:7:1:3.4| Show InChI InChI=1S/C30H27ClF2N2O2/c1-35-24-14-15-26(35)29(28-17-25(34-37-28)18-2-8-21(31)9-3-18)27(16-24)36-30(19-4-10-22(32)11-5-19)20-6-12-23(33)13-7-20/h2-13,17,24,26-27,29-30H,14-16H2,1H3/t24?,26?,27-,29+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	756	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from Sprague-Dawley rat brain SERT after 60 mins by liquid scintillation counting method				J Med Chem 60: 10172-10187 (2017) Article DOI: 10.1021/acs.jmedchem.7b01454 BindingDB Entry DOI: 10.7270/Q2NG4T2P
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50247039 (CHEMBL4085107) Show SMILES CCOC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2CCc1c[nH]c2ccccc12 |r,TLB:12:11:28:7.8,THB:3:5:28:7.8| Show InChI InChI=1S/C33H34F2N2O3/c1-2-39-33(38)31-29-16-15-26(37(29)18-17-23-20-36-28-6-4-3-5-27(23)28)19-30(31)40-32(21-7-11-24(34)12-8-21)22-9-13-25(35)14-10-22/h3-14,20,26,29-32,36H,2,15-19H2,1H3/t26?,29?,30-,31+/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	944	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Inhibition of [3H]DA uptake at wild type human DAT expressed in African green monkey COS7 cells after 5 mins by beta scintillation counting method				J Med Chem 60: 10172-10187 (2017) Article DOI: 10.1021/acs.jmedchem.7b01454 BindingDB Entry DOI: 10.7270/Q2NG4T2P
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50247025 (CHEMBL4063478) Show SMILES CCOC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C[C@H](N)C(C)C |r,TLB:12:11:28:7.8,THB:3:5:28:7.8| Show InChI InChI=1S/C28H36F2N2O3/c1-4-34-28(33)26-24-14-13-22(32(24)16-23(31)17(2)3)15-25(26)35-27(18-5-9-20(29)10-6-18)19-7-11-21(30)12-8-19/h5-12,17,22-27H,4,13-16,31H2,1-3H3/t22?,23-,24?,25-,26+/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.05E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Inhibition of [3H]DA uptake at wild type human DAT expressed in African green monkey COS7 cells after 5 mins by beta scintillation counting method				J Med Chem 60: 10172-10187 (2017) Article DOI: 10.1021/acs.jmedchem.7b01454 BindingDB Entry DOI: 10.7270/Q2NG4T2P
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50247043 (CHEMBL4074774) Show SMILES CN1C2CCC1[C@H]([C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)c1cc(no1)-c1ccccc1 |r,TLB:25:6:1:3.4,THB:9:7:1:3.4| Show InChI InChI=1S/C30H28F2N2O2/c1-34-24-15-16-26(34)29(28-18-25(33-36-28)19-5-3-2-4-6-19)27(17-24)35-30(20-7-11-22(31)12-8-20)21-9-13-23(32)14-10-21/h2-14,18,24,26-27,29-30H,15-17H2,1H3/t24?,26?,27-,29+/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Inhibition of [3H]DA uptake at wild type human DAT expressed in African green monkey COS7 cells after 5 mins by beta scintillation counting method				J Med Chem 60: 10172-10187 (2017) Article DOI: 10.1021/acs.jmedchem.7b01454 BindingDB Entry DOI: 10.7270/Q2NG4T2P
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50247043 (CHEMBL4074774) Show SMILES CN1C2CCC1[C@H]([C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)c1cc(no1)-c1ccccc1 |r,TLB:25:6:1:3.4,THB:9:7:1:3.4| Show InChI InChI=1S/C30H28F2N2O2/c1-34-24-15-16-26(34)29(28-18-25(33-36-28)19-5-3-2-4-6-19)27(17-24)35-30(20-7-11-22(31)12-8-20)21-9-13-23(32)14-10-21/h2-14,18,24,26-27,29-30H,15-17H2,1H3/t24?,26?,27-,29+/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Inhibition of [3H]DA uptake at wild type human DAT expressed in African green monkey COS7 cells after 5 mins by beta scintillation counting method				J Med Chem 60: 10172-10187 (2017) Article DOI: 10.1021/acs.jmedchem.7b01454 BindingDB Entry DOI: 10.7270/Q2NG4T2P
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50247043 (CHEMBL4074774) Show SMILES CN1C2CCC1[C@H]([C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)c1cc(no1)-c1ccccc1 |r,TLB:25:6:1:3.4,THB:9:7:1:3.4| Show InChI InChI=1S/C30H28F2N2O2/c1-34-24-15-16-26(34)29(28-18-25(33-36-28)19-5-3-2-4-6-19)27(17-24)35-30(20-7-11-22(31)12-8-20)21-9-13-23(32)14-10-21/h2-14,18,24,26-27,29-30H,15-17H2,1H3/t24?,26?,27-,29+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.32E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from Sprague-Dawley rat brain SERT after 60 mins by liquid scintillation counting method				J Med Chem 60: 10172-10187 (2017) Article DOI: 10.1021/acs.jmedchem.7b01454 BindingDB Entry DOI: 10.7270/Q2NG4T2P
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50247043 (CHEMBL4074774) Show SMILES CN1C2CCC1[C@H]([C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)c1cc(no1)-c1ccccc1 |r,TLB:25:6:1:3.4,THB:9:7:1:3.4| Show InChI InChI=1S/C30H28F2N2O2/c1-34-24-15-16-26(34)29(28-18-25(33-36-28)19-5-3-2-4-6-19)27(17-24)35-30(20-7-11-22(31)12-8-20)21-9-13-23(32)14-10-21/h2-14,18,24,26-27,29-30H,15-17H2,1H3/t24?,26?,27-,29+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.32E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from Sprague-Dawley rat brain SERT after 60 mins by liquid scintillation counting method				J Med Chem 60: 10172-10187 (2017) Article DOI: 10.1021/acs.jmedchem.7b01454 BindingDB Entry DOI: 10.7270/Q2NG4T2P
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50247025 (CHEMBL4063478) Show SMILES CCOC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C[C@H](N)C(C)C |r,TLB:12:11:28:7.8,THB:3:5:28:7.8| Show InChI InChI=1S/C28H36F2N2O3/c1-4-34-28(33)26-24-14-13-22(32(24)16-23(31)17(2)3)15-25(26)35-27(18-5-9-20(29)10-6-18)19-7-11-21(30)12-8-19/h5-12,17,22-27H,4,13-16,31H2,1-3H3/t22?,23-,24?,25-,26+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.37E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from Sprague-Dawley rat brain SERT after 60 mins by liquid scintillation counting method				J Med Chem 60: 10172-10187 (2017) Article DOI: 10.1021/acs.jmedchem.7b01454 BindingDB Entry DOI: 10.7270/Q2NG4T2P
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50061881 (3-[Bis-(4-fluoro-phenyl)-methoxy]-8-cyclopropylmet...) Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CC1CC1)c1ccc(F)cc1 |TLB:8:9:16:12.13| Show InChI InChI=1S/C24H27F2NO/c25-19-7-3-17(4-8-19)24(18-5-9-20(26)10-6-18)28-23-13-21-11-12-22(14-23)27(21)15-16-1-2-16/h3-10,16,21-24H,1-2,11-15H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.42E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from Sprague-Dawley rat brain SERT after 60 mins by liquid scintillation counting method				J Med Chem 60: 10172-10187 (2017) Article DOI: 10.1021/acs.jmedchem.7b01454 BindingDB Entry DOI: 10.7270/Q2NG4T2P
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50247030 (CHEMBL4100591) Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCN1CCCCC1)c1ccc(F)cc1 |@@:9,TLB:8:9:16:12.13| Show InChI InChI=1S/C27H34F2N2O/c28-22-8-4-20(5-9-22)27(21-6-10-23(29)11-7-21)32-26-18-24-12-13-25(19-26)31(24)17-16-30-14-2-1-3-15-30/h4-11,24-27H,1-3,12-19H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	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
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from Sprague-Dawley rat brain SERT after 60 mins by liquid scintillation counting method				J Med Chem 60: 10172-10187 (2017) Article DOI: 10.1021/acs.jmedchem.7b01454 BindingDB Entry DOI: 10.7270/Q2NG4T2P
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50247043 (CHEMBL4074774) Show SMILES CN1C2CCC1[C@H]([C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)c1cc(no1)-c1ccccc1 |r,TLB:25:6:1:3.4,THB:9:7:1:3.4| Show InChI InChI=1S/C30H28F2N2O2/c1-34-24-15-16-26(34)29(28-18-25(33-36-28)19-5-3-2-4-6-19)27(17-24)35-30(20-7-11-22(31)12-8-20)21-9-13-23(32)14-10-21/h2-14,18,24,26-27,29-30H,15-17H2,1H3/t24?,26?,27-,29+/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.48E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Inhibition of [3H]WIN5428 uptake at wild type human DAT expressed in African green monkey COS7 cells after 90 mins				J Med Chem 60: 10172-10187 (2017) Article DOI: 10.1021/acs.jmedchem.7b01454 BindingDB Entry DOI: 10.7270/Q2NG4T2P
					More data for this Ligand-Target Pair

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