Compile Data Set for Download or QSAR

Found 881 hits with Last Name = 'verma' and Initial = 'a'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50303312 (3-alpha-(4-Dichlorophenyl)methoxy-3-beta-phenyl-no...) Show SMILES Clc1ccc(COC2(CC3CCC(C2)N3)c2ccccc2)cc1Cl |TLB:6:7:14:10.11,THB:15:7:14:10.11| Show InChI InChI=1S/C20H21Cl2NO/c21-18-9-6-14(10-19(18)22)13-24-20(15-4-2-1-3-5-15)11-16-7-8-17(12-20)23-16/h1-6,9-10,16-17,23H,7-8,11-13H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT in rat brain				Bioorg Med Chem Lett 19: 6865-8 (2009) Article DOI: 10.1016/j.bmcl.2009.10.087 BindingDB Entry DOI: 10.7270/Q24T6K9G
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50303314 (3-alpha-(4-Chlorophenyl)methoxy-3-beta-(4-chloroph...) Show SMILES Clc1ccc(COC2(CC3CCC(C2)N3)c2ccc(Cl)cc2)cc1 |TLB:6:7:14:10.11,THB:15:7:14:10.11| Show InChI InChI=1S/C20H21Cl2NO/c21-16-5-1-14(2-6-16)13-24-20(15-3-7-17(22)8-4-15)11-18-9-10-19(12-20)23-18/h1-8,18-19,23H,9-13H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT in rat brain				Bioorg Med Chem Lett 19: 6865-8 (2009) Article DOI: 10.1016/j.bmcl.2009.10.087 BindingDB Entry DOI: 10.7270/Q24T6K9G
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50303309 (3-(3,4-dichlorophenyl)-2-nortropene | CHEMBL578130) Show SMILES Clc1ccc(cc1Cl)C1=CC2CCC(C1)N2 |t:9,TLB:4:8:15:12.11| Show InChI InChI=1S/C13H13Cl2N/c14-12-4-1-8(7-13(12)15)9-5-10-2-3-11(6-9)16-10/h1,4-5,7,10-11,16H,2-3,6H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT in rat brain				Bioorg Med Chem Lett 19: 6865-8 (2009) Article DOI: 10.1016/j.bmcl.2009.10.087 BindingDB Entry DOI: 10.7270/Q24T6K9G
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50303308 (3-(4-Trifluoromethylphenyl)-2-nortropene | CHEMBL5...) Show SMILES FC(F)(F)c1ccc(cc1)C1=CC2CCC(C1)N2 |t:11,TLB:7:10:17:14.13| Show InChI InChI=1S/C14H14F3N/c15-14(16,17)11-3-1-9(2-4-11)10-7-12-5-6-13(8-10)18-12/h1-4,7,12-13,18H,5-6,8H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT in rat brain				Bioorg Med Chem Lett 19: 6865-8 (2009) Article DOI: 10.1016/j.bmcl.2009.10.087 BindingDB Entry DOI: 10.7270/Q24T6K9G
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50303307 (3-(4-Chlorophenyl)-2-nortropene | CHEMBL576508) Show SMILES Clc1ccc(cc1)C1=CC2CCC(C1)N2 |t:8,TLB:4:7:14:11.10| Show InChI InChI=1S/C13H14ClN/c14-11-3-1-9(2-4-11)10-7-12-5-6-13(8-10)15-12/h1-4,7,12-13,15H,5-6,8H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT in rat brain				Bioorg Med Chem Lett 19: 6865-8 (2009) Article DOI: 10.1016/j.bmcl.2009.10.087 BindingDB Entry DOI: 10.7270/Q24T6K9G
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50359603 (CHEMBL1927881) Show SMILES Fc1ccc(cc1)C(OC\C=C1\C[C@@H]2CC[C@H](C1)N2Cc1ccc(Cl)cc1)c1ccc(F)cc1 |r,THB:19:18:12.11.17:15.14| Show InChI InChI=1S/C29H28ClF2NO/c30-24-7-1-20(2-8-24)19-33-27-13-14-28(33)18-21(17-27)15-16-34-29(22-3-9-25(31)10-4-22)23-5-11-26(32)12-6-23/h1-12,15,27-29H,13-14,16-19H2/b21-15-/t27-,28+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from DAT in Sprague-Dawley rat brain homogenates after 1 hr by scintillation counting				Bioorg Med Chem 19: 7551-8 (2011) Article DOI: 10.1016/j.bmc.2011.10.028 BindingDB Entry DOI: 10.7270/Q2XP75CJ
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50359599 (CHEMBL1927877) Show SMILES Fc1ccc(cc1)C(OC\C=C1\C[C@@H]2CC[C@H](C1)N2CC1CC1)c1ccc(F)cc1 |r,THB:19:18:12.11.17:15.14| Show InChI InChI=1S/C26H29F2NO/c27-22-7-3-20(4-8-22)26(21-5-9-23(28)10-6-21)30-14-13-19-15-24-11-12-25(16-19)29(24)17-18-1-2-18/h3-10,13,18,24-26H,1-2,11-12,14-17H2/b19-13-/t24-,25+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from DAT in Sprague-Dawley rat brain homogenates after 1 hr by scintillation counting				Bioorg Med Chem 19: 7551-8 (2011) Article DOI: 10.1016/j.bmc.2011.10.028 BindingDB Entry DOI: 10.7270/Q2XP75CJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50303318 (3-alpha-(4-Dichlorophenyl)methoxy-3-beta-(3,4-dich...) Show SMILES Clc1ccc(COC2(CC3CCC(C2)N3)c2ccc(Cl)c(Cl)c2)cc1Cl |TLB:6:7:14:10.11,THB:15:7:14:10.11| Show InChI InChI=1S/C20H19Cl4NO/c21-16-5-1-12(7-18(16)23)11-26-20(9-14-3-4-15(10-20)25-14)13-2-6-17(22)19(24)8-13/h1-2,5-8,14-15,25H,3-4,9-11H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT in rat brain				Bioorg Med Chem Lett 19: 6865-8 (2009) Article DOI: 10.1016/j.bmcl.2009.10.087 BindingDB Entry DOI: 10.7270/Q24T6K9G
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50359601 (CHEMBL1927879) Show SMILES Fc1ccc(CN2[C@H]3CC[C@@H]2C\C(C3)=C/COC(c2ccc(F)cc2)c2ccc(F)cc2)cc1 |r,THB:5:6:13.12.11:9.8| Show InChI InChI=1S/C29H28F3NO/c30-24-7-1-20(2-8-24)19-33-27-13-14-28(33)18-21(17-27)15-16-34-29(22-3-9-25(31)10-4-22)23-5-11-26(32)12-6-23/h1-12,15,27-29H,13-14,16-19H2/b21-15-/t27-,28+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from DAT in Sprague-Dawley rat brain homogenates after 1 hr by scintillation counting				Bioorg Med Chem 19: 7551-8 (2011) Article DOI: 10.1016/j.bmc.2011.10.028 BindingDB Entry DOI: 10.7270/Q2XP75CJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50303311 (3-alpha-(4-Chlorophenyl)methoxy-3-beta-phenyl-nort...) Show SMILES Clc1ccc(COC2(CC3CCC(C2)N3)c2ccccc2)cc1 |TLB:6:7:14:10.11,THB:15:7:14:10.11| Show InChI InChI=1S/C20H22ClNO/c21-17-8-6-15(7-9-17)14-23-20(16-4-2-1-3-5-16)12-18-10-11-19(13-20)22-18/h1-9,18-19,22H,10-14H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT in rat brain				Bioorg Med Chem Lett 19: 6865-8 (2009) Article DOI: 10.1016/j.bmcl.2009.10.087 BindingDB Entry DOI: 10.7270/Q24T6K9G
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50359605 (CHEMBL1927883) Show SMILES Cc1ccc(CN2[C@H]3CC[C@@H]2C\C(C3)=C/COC(c2ccc(F)cc2)c2ccc(F)cc2)cc1 |r,THB:5:6:13.12.11:9.8| Show InChI InChI=1S/C30H31F2NO/c1-21-2-4-22(5-3-21)20-33-28-14-15-29(33)19-23(18-28)16-17-34-30(24-6-10-26(31)11-7-24)25-8-12-27(32)13-9-25/h2-13,16,28-30H,14-15,17-20H2,1H3/b23-16-/t28-,29+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from DAT in Sprague-Dawley rat brain homogenates after 1 hr by scintillation counting				Bioorg Med Chem 19: 7551-8 (2011) Article DOI: 10.1016/j.bmc.2011.10.028 BindingDB Entry DOI: 10.7270/Q2XP75CJ
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50359600 (CHEMBL1927878) Show SMILES Fc1ccc(CN2[C@H]3CC[C@@H]2C\C(C3)=C/COC(c2ccccc2)c2ccccc2)cc1 |r,THB:5:6:13.12.11:9.8| Show InChI InChI=1S/C29H30FNO/c30-26-13-11-22(12-14-26)21-31-27-15-16-28(31)20-23(19-27)17-18-32-29(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-14,17,27-29H,15-16,18-21H2/b23-17-/t27-,28+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from DAT in Sprague-Dawley rat brain homogenates after 1 hr by scintillation counting				Bioorg Med Chem 19: 7551-8 (2011) Article DOI: 10.1016/j.bmc.2011.10.028 BindingDB Entry DOI: 10.7270/Q2XP75CJ
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50359602 (CHEMBL1927880) Show SMILES Clc1ccc(CN2[C@H]3CC[C@@H]2C\C(C3)=C/COC(c2ccccc2)c2ccccc2)cc1 |r,THB:5:6:13.12.11:9.8| Show InChI InChI=1S/C29H30ClNO/c30-26-13-11-22(12-14-26)21-31-27-15-16-28(31)20-23(19-27)17-18-32-29(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-14,17,27-29H,15-16,18-21H2/b23-17-/t27-,28+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from DAT in Sprague-Dawley rat brain homogenates after 1 hr by scintillation counting				Bioorg Med Chem 19: 7551-8 (2011) Article DOI: 10.1016/j.bmc.2011.10.028 BindingDB Entry DOI: 10.7270/Q2XP75CJ
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50359609 (CHEMBL1927867) Show SMILES Fc1ccc(cc1)C(OC\C=C1\C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)c1ccc(F)cc1 |r,THB:19:18:12.11.17:15.14| Show InChI InChI=1S/C29H29F2NO/c30-25-10-6-23(7-11-25)29(24-8-12-26(31)13-9-24)33-17-16-22-18-27-14-15-28(19-22)32(27)20-21-4-2-1-3-5-21/h1-13,16,27-29H,14-15,17-20H2/b22-16-/t27-,28+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from DAT in Sprague-Dawley rat brain homogenates after 1 hr by scintillation counting				Bioorg Med Chem 19: 7551-8 (2011) Article DOI: 10.1016/j.bmc.2011.10.028 BindingDB Entry DOI: 10.7270/Q2XP75CJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50303315 (3-alpha-(4-Dichlorophenyl)methoxy-3-beta-(4-chloro...) Show SMILES Clc1ccc(COC2(CC3CCC(C2)N3)c2ccc(Cl)c(Cl)c2)cc1 |TLB:6:7:14:10.11,THB:15:7:14:10.11| Show InChI InChI=1S/C20H20Cl3NO/c21-15-4-1-13(2-5-15)12-25-20(10-16-6-7-17(11-20)24-16)14-3-8-18(22)19(23)9-14/h1-5,8-9,16-17,24H,6-7,10-12H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT in rat brain				Bioorg Med Chem Lett 19: 6865-8 (2009) Article DOI: 10.1016/j.bmcl.2009.10.087 BindingDB Entry DOI: 10.7270/Q24T6K9G
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50359604 (CHEMBL1927882) Show SMILES Cc1ccc(CN2[C@H]3CC[C@@H]2C\C(C3)=C/COC(c2ccccc2)c2ccccc2)cc1 |r,THB:5:6:13.12.11:9.8| Show InChI InChI=1S/C30H33NO/c1-23-12-14-24(15-13-23)22-31-28-16-17-29(31)21-25(20-28)18-19-32-30(26-8-4-2-5-9-26)27-10-6-3-7-11-27/h2-15,18,28-30H,16-17,19-22H2,1H3/b25-18-/t28-,29+/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
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from DAT in Sprague-Dawley rat brain homogenates after 1 hr by scintillation counting				Bioorg Med Chem 19: 7551-8 (2011) Article DOI: 10.1016/j.bmc.2011.10.028 BindingDB Entry DOI: 10.7270/Q2XP75CJ
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50303312 (3-alpha-(4-Dichlorophenyl)methoxy-3-beta-phenyl-no...) Show SMILES Clc1ccc(COC2(CC3CCC(C2)N3)c2ccccc2)cc1Cl |TLB:6:7:14:10.11,THB:15:7:14:10.11| Show InChI InChI=1S/C20H21Cl2NO/c21-18-9-6-14(10-19(18)22)13-24-20(15-4-2-1-3-5-15)11-16-7-8-17(12-20)23-16/h1-6,9-10,16-17,23H,7-8,11-13H2	Reactome pathway KEGG UniProtKB/SwissProt 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
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 from DAT in rat brain				Bioorg Med Chem Lett 19: 6865-8 (2009) Article DOI: 10.1016/j.bmcl.2009.10.087 BindingDB Entry DOI: 10.7270/Q24T6K9G
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50303309 (3-(3,4-dichlorophenyl)-2-nortropene | CHEMBL578130) Show SMILES Clc1ccc(cc1Cl)C1=CC2CCC(C1)N2 |t:9,TLB:4:8:15:12.11| Show InChI InChI=1S/C13H13Cl2N/c14-12-4-1-8(7-13(12)15)9-5-10-2-3-11(6-9)16-10/h1,4-5,7,10-11,16H,2-3,6H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 from DAT in rat brain				Bioorg Med Chem Lett 19: 6865-8 (2009) Article DOI: 10.1016/j.bmcl.2009.10.087 BindingDB Entry DOI: 10.7270/Q24T6K9G
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50359608 (CHEMBL1927861) Show SMILES CN1[C@H]2CC[C@@H]1C\C(C2)=C/COC(c1ccc(F)cc1)c1ccc(F)cc1 |r,THB:0:1:8.7.6:4.3| Show InChI InChI=1S/C23H25F2NO/c1-26-21-10-11-22(26)15-16(14-21)12-13-27-23(17-2-6-19(24)7-3-17)18-4-8-20(25)9-5-18/h2-9,12,21-23H,10-11,13-15H2,1H3/b16-12-/t21-,22+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from DAT in Sprague-Dawley rat brain homogenates after 1 hr by scintillation counting				Bioorg Med Chem 19: 7551-8 (2011) Article DOI: 10.1016/j.bmc.2011.10.028 BindingDB Entry DOI: 10.7270/Q2XP75CJ
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus (rat))	BDBM50303309 (3-(3,4-dichlorophenyl)-2-nortropene | CHEMBL578130) Show SMILES Clc1ccc(cc1Cl)C1=CC2CCC(C1)N2 |t:9,TLB:4:8:15:12.11| Show InChI InChI=1S/C13H13Cl2N/c14-12-4-1-8(7-13(12)15)9-5-10-2-3-11(6-9)16-10/h1,4-5,7,10-11,16H,2-3,6H2	PDB Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from NET in rat brain				Bioorg Med Chem Lett 19: 6865-8 (2009) Article DOI: 10.1016/j.bmcl.2009.10.087 BindingDB Entry DOI: 10.7270/Q24T6K9G
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50359598 (CHEMBL1927873) Show SMILES Fc1ccc(cc1)C(OC\C=C1\C[C@@H]2CC[C@H](C1)N2CC=C)c1ccc(F)cc1 |r,THB:19:18:12.11.17:15.14| Show InChI InChI=1S/C25H27F2NO/c1-2-14-28-23-11-12-24(28)17-18(16-23)13-15-29-25(19-3-7-21(26)8-4-19)20-5-9-22(27)10-6-20/h2-10,13,23-25H,1,11-12,14-17H2/b18-13-/t23-,24+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL 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
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from DAT in Sprague-Dawley rat brain homogenates after 1 hr by scintillation counting				Bioorg Med Chem 19: 7551-8 (2011) Article DOI: 10.1016/j.bmc.2011.10.028 BindingDB Entry DOI: 10.7270/Q2XP75CJ
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50303311 (3-alpha-(4-Chlorophenyl)methoxy-3-beta-phenyl-nort...) Show SMILES Clc1ccc(COC2(CC3CCC(C2)N3)c2ccccc2)cc1 |TLB:6:7:14:10.11,THB:15:7:14:10.11| Show InChI InChI=1S/C20H22ClNO/c21-17-8-6-15(7-9-17)14-23-20(16-4-2-1-3-5-16)12-18-10-11-19(13-20)22-18/h1-9,18-19,22H,10-14H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 from DAT in rat brain				Bioorg Med Chem Lett 19: 6865-8 (2009) Article DOI: 10.1016/j.bmcl.2009.10.087 BindingDB Entry DOI: 10.7270/Q24T6K9G
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50359596 (CHEMBL1927869) Show SMILES CCN1[C@H]2CC[C@@H]1C\C(C2)=C/COC(c1ccc(F)cc1)c1ccc(F)cc1 |r,THB:1:2:9.8.7:5.4| Show InChI InChI=1S/C24H27F2NO/c1-2-27-22-11-12-23(27)16-17(15-22)13-14-28-24(18-3-7-20(25)8-4-18)19-5-9-21(26)10-6-19/h3-10,13,22-24H,2,11-12,14-16H2,1H3/b17-13-/t22-,23+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL 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
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from DAT in Sprague-Dawley rat brain homogenates after 1 hr by scintillation counting				Bioorg Med Chem 19: 7551-8 (2011) Article DOI: 10.1016/j.bmc.2011.10.028 BindingDB Entry DOI: 10.7270/Q2XP75CJ
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50359597 (CHEMBL1927871) Show SMILES CCCN1[C@H]2CC[C@@H]1C\C(C2)=C/COC(c1ccc(F)cc1)c1ccc(F)cc1 |r,THB:2:3:10.9.8:6.5| Show InChI InChI=1S/C25H29F2NO/c1-2-14-28-23-11-12-24(28)17-18(16-23)13-15-29-25(19-3-7-21(26)8-4-19)20-5-9-22(27)10-6-20/h3-10,13,23-25H,2,11-12,14-17H2,1H3/b18-13-/t23-,24+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from DAT in Sprague-Dawley rat brain homogenates after 1 hr by scintillation counting				Bioorg Med Chem 19: 7551-8 (2011) Article DOI: 10.1016/j.bmc.2011.10.028 BindingDB Entry DOI: 10.7270/Q2XP75CJ
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50359606 (CHEMBL1927866) Show SMILES C(OC(c1ccccc1)c1ccccc1)\C=C1\C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 |r,THB:24:23:17.16.22:20.19| Show InChI InChI=1S/C29H31NO/c1-4-10-23(11-5-1)22-30-27-16-17-28(30)21-24(20-27)18-19-31-29(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,18,27-29H,16-17,19-22H2/b24-18-/t27-,28+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from DAT in Sprague-Dawley rat brain homogenates after 1 hr by scintillation counting				Bioorg Med Chem 19: 7551-8 (2011) Article DOI: 10.1016/j.bmc.2011.10.028 BindingDB Entry DOI: 10.7270/Q2XP75CJ
					More data for this Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit beta (RAT)	BDBM15211 (CHEMBL104264 | H-89 | H89 | HT-89 (H-89) | N-(2-{[...) Show SMILES Brc1ccc(\C=C\CNCCNS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University Curated by PDSP Ki Database									J Pharmacol Exp Ther 316: 869-74 (2006) Article DOI: 10.1124/jpet.105.097303 BindingDB Entry DOI: 10.7270/Q2PN9464
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50303317 (3-alpha-Phenylmethoxy-3-beta-(3,4-dichlorophenyl)-...) Show SMILES Clc1ccc(cc1Cl)C1(CC2CCC(C1)N2)OCc1ccccc1 |TLB:16:8:15:11.12,THB:4:8:15:11.12| Show InChI InChI=1S/C20H21Cl2NO/c21-18-9-6-15(10-19(18)22)20(11-16-7-8-17(12-20)23-16)24-13-14-4-2-1-3-5-14/h1-6,9-10,16-17,23H,7-8,11-13H2	PDB KEGG UniProtKB/SwissProt 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
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT in rat brain				Bioorg Med Chem Lett 19: 6865-8 (2009) Article DOI: 10.1016/j.bmcl.2009.10.087 BindingDB Entry DOI: 10.7270/Q24T6K9G
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50303314 (3-alpha-(4-Chlorophenyl)methoxy-3-beta-(4-chloroph...) Show SMILES Clc1ccc(COC2(CC3CCC(C2)N3)c2ccc(Cl)cc2)cc1 |TLB:6:7:14:10.11,THB:15:7:14:10.11| Show InChI InChI=1S/C20H21Cl2NO/c21-16-5-1-14(2-6-16)13-24-20(15-3-7-17(22)8-4-15)11-18-9-10-19(12-20)23-18/h1-8,18-19,23H,9-13H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 from DAT in rat brain				Bioorg Med Chem Lett 19: 6865-8 (2009) Article DOI: 10.1016/j.bmcl.2009.10.087 BindingDB Entry DOI: 10.7270/Q24T6K9G
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50303313 (3-alpha-Phenylmethoxy-3-beta-(4-chlorophenyl)-nort...) Show SMILES Clc1ccc(cc1)C1(CC2CCC(C1)N2)OCc1ccccc1 |TLB:15:7:14:10.11,THB:4:7:14:10.11| Show InChI InChI=1S/C20H22ClNO/c21-17-8-6-16(7-9-17)20(12-18-10-11-19(13-20)22-18)23-14-15-4-2-1-3-5-15/h1-9,18-19,22H,10-14H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT in rat brain				Bioorg Med Chem Lett 19: 6865-8 (2009) Article DOI: 10.1016/j.bmcl.2009.10.087 BindingDB Entry DOI: 10.7270/Q24T6K9G
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Rattus norvegicus (Rat))	BDBM86729 ((R)-(+)-trans-4-(1-aminoethyl)-N-(4-pyridyl)cycloh...) Show SMILES C[C@@H](N)[C@H]1CC[C@@H](CC1)C(=O)Nc1ccncc1 |r,wU:6.9,wD:3.2,1.1,(4.6,-3.38,;4.87,-1.86,;6.32,-1.34,;3.69,-.87,;2.92,.46,;1.38,.46,;.61,-.87,;1.38,-2.21,;2.92,-2.21,;-.93,-.87,;-1.7,.46,;-1.7,-2.21,;-3.24,-2.21,;-4.01,-3.54,;-5.55,-3.54,;-6.32,-2.21,;-5.55,-.87,;-4.01,-.87,)| Show InChI InChI=1S/C14H21N3O/c1-10(15)11-2-4-12(5-3-11)14(18)17-13-6-8-16-9-7-13/h6-12H,2-5,15H2,1H3,(H,16,17,18)/t10-,11-,12-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University Curated by PDSP Ki Database									J Pharmacol Exp Ther 316: 869-74 (2006) Article DOI: 10.1124/jpet.105.097303 BindingDB Entry DOI: 10.7270/Q2PN9464
					More data for this Ligand-Target Pair				3D Structure (crystal)
Transporter (Rattus norvegicus (rat))	BDBM50303311 (3-alpha-(4-Chlorophenyl)methoxy-3-beta-phenyl-nort...) Show SMILES Clc1ccc(COC2(CC3CCC(C2)N3)c2ccccc2)cc1 |TLB:6:7:14:10.11,THB:15:7:14:10.11| Show InChI InChI=1S/C20H22ClNO/c21-17-8-6-15(7-9-17)14-23-20(16-4-2-1-3-5-16)12-18-10-11-19(13-20)22-18/h1-9,18-19,22H,10-14H2	PDB Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	101	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from NET in rat brain				Bioorg Med Chem Lett 19: 6865-8 (2009) Article DOI: 10.1016/j.bmcl.2009.10.087 BindingDB Entry DOI: 10.7270/Q24T6K9G
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50303310 (3-alpha-Phenylmethoxy-3-beta-phenyl-nortropane | C...) Show SMILES C(OC1(CC2CCC(C1)N2)c1ccccc1)c1ccccc1 |TLB:1:2:9:5.6,THB:10:2:9:5.6| Show InChI InChI=1S/C20H23NO/c1-3-7-16(8-4-1)15-22-20(17-9-5-2-6-10-17)13-18-11-12-19(14-20)21-18/h1-10,18-19,21H,11-15H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	117	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 from DAT in rat brain				Bioorg Med Chem Lett 19: 6865-8 (2009) Article DOI: 10.1016/j.bmcl.2009.10.087 BindingDB Entry DOI: 10.7270/Q24T6K9G
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus (rat))	BDBM50303307 (3-(4-Chlorophenyl)-2-nortropene | CHEMBL576508) Show SMILES Clc1ccc(cc1)C1=CC2CCC(C1)N2 |t:8,TLB:4:7:14:11.10| Show InChI InChI=1S/C13H14ClN/c14-11-3-1-9(2-4-11)10-7-12-5-6-13(8-10)15-12/h1-4,7,12-13,15H,5-6,8H2	PDB Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from NET in rat brain				Bioorg Med Chem Lett 19: 6865-8 (2009) Article DOI: 10.1016/j.bmcl.2009.10.087 BindingDB Entry DOI: 10.7270/Q24T6K9G
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50303306 (3-(4-Fluorophenyl)-2-nortropene | CHEMBL570638) Show SMILES Fc1ccc(cc1)C1=CC2CCC(C1)N2 |t:8,TLB:4:7:14:11.10| Show InChI InChI=1S/C13H14FN/c14-11-3-1-9(2-4-11)10-7-12-5-6-13(8-10)15-12/h1-4,7,12-13,15H,5-6,8H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	129	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT in rat brain				Bioorg Med Chem Lett 19: 6865-8 (2009) Article DOI: 10.1016/j.bmcl.2009.10.087 BindingDB Entry DOI: 10.7270/Q24T6K9G
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50359607 (CHEMBL1927860) Show SMILES CN1[C@H]2CC[C@@H]1C\C(C2)=C/COC(c1ccccc1)c1ccccc1 |r,THB:0:1:8.7.6:4.3| Show InChI InChI=1S/C23H27NO/c1-24-21-12-13-22(24)17-18(16-21)14-15-25-23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,14,21-23H,12-13,15-17H2,1H3/b18-14-/t21-,22+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from DAT in Sprague-Dawley rat brain homogenates after 1 hr by scintillation counting				Bioorg Med Chem 19: 7551-8 (2011) Article DOI: 10.1016/j.bmc.2011.10.028 BindingDB Entry DOI: 10.7270/Q2XP75CJ
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50359612 (CHEMBL1927872) Show SMILES C=CCN1[C@H]2CC[C@@H]1C\C(C2)=C/COC(c1ccccc1)c1ccccc1 |r,THB:2:3:10.9.8:6.5| Show InChI InChI=1S/C25H29NO/c1-2-16-26-23-13-14-24(26)19-20(18-23)15-17-27-25(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h2-12,15,23-25H,1,13-14,16-19H2/b20-15-/t23-,24+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	143	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from DAT in Sprague-Dawley rat brain homogenates after 1 hr by scintillation counting				Bioorg Med Chem 19: 7551-8 (2011) Article DOI: 10.1016/j.bmc.2011.10.028 BindingDB Entry DOI: 10.7270/Q2XP75CJ
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50359613 (CHEMBL1927876) Show SMILES C(OC(c1ccccc1)c1ccccc1)\C=C1\C[C@@H]2CC[C@H](C1)N2CC1CC1 |r,THB:24:23:17.16.22:20.19| Show InChI InChI=1S/C26H31NO/c1-3-7-22(8-4-1)26(23-9-5-2-6-10-23)28-16-15-21-17-24-13-14-25(18-21)27(24)19-20-11-12-20/h1-10,15,20,24-26H,11-14,16-19H2/b21-15-/t24-,25+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	169	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from DAT in Sprague-Dawley rat brain homogenates after 1 hr by scintillation counting				Bioorg Med Chem 19: 7551-8 (2011) Article DOI: 10.1016/j.bmc.2011.10.028 BindingDB Entry DOI: 10.7270/Q2XP75CJ
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50303313 (3-alpha-Phenylmethoxy-3-beta-(4-chlorophenyl)-nort...) Show SMILES Clc1ccc(cc1)C1(CC2CCC(C1)N2)OCc1ccccc1 |TLB:15:7:14:10.11,THB:4:7:14:10.11| Show InChI InChI=1S/C20H22ClNO/c21-17-8-6-16(7-9-17)20(12-18-10-11-19(13-20)22-18)23-14-15-4-2-1-3-5-15/h1-9,18-19,22H,10-14H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	172	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 from DAT in rat brain				Bioorg Med Chem Lett 19: 6865-8 (2009) Article DOI: 10.1016/j.bmcl.2009.10.087 BindingDB Entry DOI: 10.7270/Q24T6K9G
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50303305 (3-Phenyl-2-nortropene | CHEMBL576092) Show SMILES C1CC2NC1CC(=C2)c1ccccc1 |c:7,TLB:8:6:3:0.1| Show InChI InChI=1S/C13H15N/c1-2-4-10(5-3-1)11-8-12-6-7-13(9-11)14-12/h1-5,8,12-14H,6-7,9H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	176	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT in rat brain				Bioorg Med Chem Lett 19: 6865-8 (2009) Article DOI: 10.1016/j.bmcl.2009.10.087 BindingDB Entry DOI: 10.7270/Q24T6K9G
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50303307 (3-(4-Chlorophenyl)-2-nortropene | CHEMBL576508) Show SMILES Clc1ccc(cc1)C1=CC2CCC(C1)N2 |t:8,TLB:4:7:14:11.10| Show InChI InChI=1S/C13H14ClN/c14-11-3-1-9(2-4-11)10-7-12-5-6-13(8-10)15-12/h1-4,7,12-13,15H,5-6,8H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	231	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 from DAT in rat brain				Bioorg Med Chem Lett 19: 6865-8 (2009) Article DOI: 10.1016/j.bmcl.2009.10.087 BindingDB Entry DOI: 10.7270/Q24T6K9G
					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	237	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 from DAT in rat brain				Bioorg Med Chem Lett 19: 6865-8 (2009) Article DOI: 10.1016/j.bmcl.2009.10.087 BindingDB Entry DOI: 10.7270/Q24T6K9G
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50359611 (CHEMBL1927870) Show SMILES CCCN1[C@H]2CC[C@@H]1C\C(C2)=C/COC(c1ccccc1)c1ccccc1 |r,THB:2:3:10.9.8:6.5| Show InChI InChI=1S/C25H31NO/c1-2-16-26-23-13-14-24(26)19-20(18-23)15-17-27-25(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-12,15,23-25H,2,13-14,16-19H2,1H3/b20-15-/t23-,24+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	245	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from DAT in Sprague-Dawley rat brain homogenates after 1 hr by scintillation counting				Bioorg Med Chem 19: 7551-8 (2011) Article DOI: 10.1016/j.bmc.2011.10.028 BindingDB Entry DOI: 10.7270/Q2XP75CJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50303310 (3-alpha-Phenylmethoxy-3-beta-phenyl-nortropane | C...) Show SMILES C(OC1(CC2CCC(C1)N2)c1ccccc1)c1ccccc1 |TLB:1:2:9:5.6,THB:10:2:9:5.6| Show InChI InChI=1S/C20H23NO/c1-3-7-16(8-4-1)15-22-20(17-9-5-2-6-10-17)13-18-11-12-19(14-20)21-18/h1-10,18-19,21H,11-15H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	247	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT in rat brain				Bioorg Med Chem Lett 19: 6865-8 (2009) Article DOI: 10.1016/j.bmcl.2009.10.087 BindingDB Entry DOI: 10.7270/Q24T6K9G
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Rattus norvegicus (Rat))	BDBM15211 (CHEMBL104264 | H-89 | H89 | HT-89 (H-89) | N-(2-{[...) Show SMILES Brc1ccc(\C=C\CNCCNS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University Curated by PDSP Ki Database									J Pharmacol Exp Ther 316: 869-74 (2006) Article DOI: 10.1124/jpet.105.097303 BindingDB Entry DOI: 10.7270/Q2PN9464
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50359610 (CHEMBL1927868) Show SMILES CCN1[C@H]2CC[C@@H]1C\C(C2)=C/COC(c1ccccc1)c1ccccc1 |r,THB:1:2:9.8.7:5.4| Show InChI InChI=1S/C24H29NO/c1-2-25-22-13-14-23(25)18-19(17-22)15-16-26-24(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,15,22-24H,2,13-14,16-18H2,1H3/b19-15-/t22-,23+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	286	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from DAT in Sprague-Dawley rat brain homogenates after 1 hr by scintillation counting				Bioorg Med Chem 19: 7551-8 (2011) Article DOI: 10.1016/j.bmc.2011.10.028 BindingDB Entry DOI: 10.7270/Q2XP75CJ
					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	286	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT in rat brain				Bioorg Med Chem Lett 19: 6865-8 (2009) Article DOI: 10.1016/j.bmcl.2009.10.087 BindingDB Entry DOI: 10.7270/Q24T6K9G
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Rattus norvegicus (Rat))	BDBM14027 (5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...) Show SMILES O=S(=O)(N1CCCNCC1)c1cccc2cnccc12 Show InChI InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University Curated by PDSP Ki Database									J Pharmacol Exp Ther 316: 869-74 (2006) Article DOI: 10.1124/jpet.105.097303 BindingDB Entry DOI: 10.7270/Q2PN9464
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50303315 (3-alpha-(4-Dichlorophenyl)methoxy-3-beta-(4-chloro...) Show SMILES Clc1ccc(COC2(CC3CCC(C2)N3)c2ccc(Cl)c(Cl)c2)cc1 |TLB:6:7:14:10.11,THB:15:7:14:10.11| Show InChI InChI=1S/C20H20Cl3NO/c21-15-4-1-13(2-5-15)12-25-20(10-16-6-7-17(11-20)24-16)14-3-8-18(22)19(23)9-14/h1-5,8-9,16-17,24H,6-7,10-12H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 from DAT in rat brain				Bioorg Med Chem Lett 19: 6865-8 (2009) Article DOI: 10.1016/j.bmcl.2009.10.087 BindingDB Entry DOI: 10.7270/Q24T6K9G
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50359605 (CHEMBL1927883) Show SMILES Cc1ccc(CN2[C@H]3CC[C@@H]2C\C(C3)=C/COC(c2ccc(F)cc2)c2ccc(F)cc2)cc1 |r,THB:5:6:13.12.11:9.8| Show InChI InChI=1S/C30H31F2NO/c1-21-2-4-22(5-3-21)20-33-28-14-15-29(33)19-23(18-28)16-17-34-30(24-6-10-26(31)11-7-24)25-8-12-27(32)13-9-25/h2-13,16,28-30H,14-15,17-20H2,1H3/b23-16-/t28-,29+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	405	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT in Sprague-Dawley rat brain homogenates after 60 mins by liquid scintillation counting				Bioorg Med Chem 19: 7551-8 (2011) Article DOI: 10.1016/j.bmc.2011.10.028 BindingDB Entry DOI: 10.7270/Q2XP75CJ
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Rattus norvegicus (Rat))	BDBM86727 (1-(5-isoquinolinesulfonyl)-2-methylpiperazine.2HCl...) Show SMILES CC1CN(CCN1)S(=O)(=O)c1cccc2cnccc12 Show InChI InChI=1S/C14H17N3O2S/c1-11-10-17(8-7-16-11)20(18,19)14-4-2-3-12-9-15-6-5-13(12)14/h2-6,9,11,16H,7-8,10H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University Curated by PDSP Ki Database									J Pharmacol Exp Ther 316: 869-74 (2006) Article DOI: 10.1124/jpet.105.097303 BindingDB Entry DOI: 10.7270/Q2PN9464
					More data for this Ligand-Target Pair

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