Compile Data Set for Download or QSAR

Found 156 hits with Last Name = 'giberson' and Initial = 'km'   

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))	BDBM50178679 (2-[[(3S,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3...) Show SMILES CN1CC[C@@H]([C@H](CSCC(=O)NCc2ccccc2)C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H27ClN2OS/c1-25-12-11-21(18-7-9-20(23)10-8-18)19(14-25)15-27-16-22(26)24-13-17-5-3-2-4-6-17/h2-10,19,21H,11-16H2,1H3,(H,24,26)/t19-,21+/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 Illinois at Chicago Curated by ChEMBL					Assay Description Ability to inhibit [3H]DA uptake through DAT in rat synaptosomes				J Med Chem 48: 7970-9 (2005) Article DOI: 10.1021/jm050694s BindingDB Entry DOI: 10.7270/Q2RF5TMT
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50166332 (9-[1-(3'-Fluoro-biphenyl-4-yl)-meth-(Z)-ylidene]-7...) Show SMILES COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(cc1)-c1cccc(F)c1 |TLB:2:4:13:6.7,2:4:11.12:8.9,6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7| Show InChI InChI=1S/C24H24FNO2/c1-28-24(27)23-21-13-20-9-10-22(23)26(20)14-18(21)11-15-5-7-16(8-6-15)17-3-2-4-19(25)12-17/h2-8,11-12,20-23H,9-10,13-14H2,1H3/b18-11+	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Acenta Discovery, Inc. Curated by ChEMBL					Assay Description Inhibitory constant against reuptake of [3H]-NE at norepinephrine transporter of rat parietal-occipital cortex				Bioorg Med Chem Lett 15: 2461-5 (2005) Article DOI: 10.1016/j.bmcl.2005.03.083 BindingDB Entry DOI: 10.7270/Q23X8645
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50166328 (9-[3-(2,6-Difluoro-phenyl)-prop-2-yn-(Z)-ylidene]-...) Show SMILES COC(=O)C1C2CCC3CC1\C(CN23)=C\C#Cc1c(F)cccc1F |TLB:2:4:13:6.7,2:4:11.12:8.9,6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7| Show InChI InChI=1S/C20H19F2NO2/c1-25-20(24)19-15-10-13-8-9-18(19)23(13)11-12(15)4-2-5-14-16(21)6-3-7-17(14)22/h3-4,6-7,13,15,18-19H,8-11H2,1H3/b12-4+	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Acenta Discovery, Inc. Curated by ChEMBL					Assay Description Inhibitory constant against reuptake of [3H]-NE at norepinephrine transporter of rat parietal-occipital cortex				Bioorg Med Chem Lett 15: 2461-5 (2005) Article DOI: 10.1016/j.bmcl.2005.03.083 BindingDB Entry DOI: 10.7270/Q23X8645
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50178663 (2-[(3R,4R)-4-(4-chlorophenyl)-1-methylpiperidin-3-...) Show SMILES CNC(=O)CSC[C@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1 Show InChI InChI=1S/C16H23ClN2OS/c1-18-16(20)11-21-10-13-9-19(2)8-7-15(13)12-3-5-14(17)6-4-12/h3-6,13,15H,7-11H2,1-2H3,(H,18,20)/t13-,15+/m1/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Ability to inhibit [3H]NE uptake through NET in rat synaptosomes				J Med Chem 48: 7970-9 (2005) Article DOI: 10.1021/jm050694s BindingDB Entry DOI: 10.7270/Q2RF5TMT
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50166336 (9-[1-[2,3']Bithiophenyl-5-yl-meth-(Z)-ylidene]-7-a...) Show SMILES COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(s1)-c1ccsc1 |TLB:2:4:13:6.7,2:4:11.12:8.9,6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7| Show InChI InChI=1S/C20H21NO2S2/c1-23-20(22)19-16-9-14-2-4-17(19)21(14)10-13(16)8-15-3-5-18(25-15)12-6-7-24-11-12/h3,5-8,11,14,16-17,19H,2,4,9-10H2,1H3/b13-8+	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Acenta Discovery, Inc. Curated by ChEMBL					Assay Description Inhibitory constant against reuptake of [3H]-NE at norepinephrine transporter of rat parietal-occipital cortex				Bioorg Med Chem Lett 15: 2461-5 (2005) Article DOI: 10.1016/j.bmcl.2005.03.083 BindingDB Entry DOI: 10.7270/Q23X8645
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50166339 (9-[1-(2'-Methoxy-biphenyl-4-yl)-meth-(Z)-ylidene]-...) Show SMILES COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(cc1)-c1ccccc1OC |TLB:2:4:13:6.7,2:4:11.12:8.9,6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7| Show InChI InChI=1S/C25H27NO3/c1-28-23-6-4-3-5-20(23)17-9-7-16(8-10-17)13-18-15-26-19-11-12-22(26)24(21(18)14-19)25(27)29-2/h3-10,13,19,21-22,24H,11-12,14-15H2,1-2H3/b18-13+	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Acenta Discovery, Inc. Curated by ChEMBL					Assay Description Inhibitory constant against reuptake of [3H]-NE at norepinephrine transporter of rat parietal-occipital cortex				Bioorg Med Chem Lett 15: 2461-5 (2005) Article DOI: 10.1016/j.bmcl.2005.03.083 BindingDB Entry DOI: 10.7270/Q23X8645
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM35229 (3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...) Show SMILES CNCCCN1c2ccccc2CCc2ccccc12 Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	7.36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Acenta Discovery, Inc. Curated by ChEMBL					Assay Description Inhibitory constant against reuptake of [3H]-NE at norepinephrine transporter of rat parietal-occipital cortex				Bioorg Med Chem Lett 15: 2461-5 (2005) Article DOI: 10.1016/j.bmcl.2005.03.083 BindingDB Entry DOI: 10.7270/Q23X8645
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50178665 (2-[(3S,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-...) Show SMILES CN(C)C(=O)CSC[C@@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1 Show InChI InChI=1S/C17H25ClN2OS/c1-19(2)17(21)12-22-11-14-10-20(3)9-8-16(14)13-4-6-15(18)7-5-13/h4-7,14,16H,8-12H2,1-3H3/t14-,16+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Ability to inhibit [3H]5HT uptake through SERT in rat synaptosomes				J Med Chem 48: 7970-9 (2005) Article DOI: 10.1021/jm050694s BindingDB Entry DOI: 10.7270/Q2RF5TMT
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50166333 (9-[1-(3'-Trifluoromethyl-biphenyl-4-yl)-meth-(Z)-y...) Show SMILES COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(cc1)-c1cccc(c1)C(F)(F)F |TLB:2:4:13:6.7,2:4:11.12:8.9,6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7| Show InChI InChI=1S/C25H24F3NO2/c1-31-24(30)23-21-13-20-9-10-22(23)29(20)14-18(21)11-15-5-7-16(8-6-15)17-3-2-4-19(12-17)25(26,27)28/h2-8,11-12,20-23H,9-10,13-14H2,1H3/b18-11+	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Acenta Discovery, Inc. Curated by ChEMBL					Assay Description Inhibitory constant against reuptake of [3H]-NE at norepinephrine transporter of rat parietal-occipital cortex				Bioorg Med Chem Lett 15: 2461-5 (2005) Article DOI: 10.1016/j.bmcl.2005.03.083 BindingDB Entry DOI: 10.7270/Q23X8645
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50166334 (9-[1-(3'-Methoxy-biphenyl-4-yl)-meth-(Z)-ylidene]-...) Show SMILES COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(cc1)-c1cccc(OC)c1 |TLB:2:4:13:6.7,2:4:11.12:8.9,6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7| Show InChI InChI=1S/C25H27NO3/c1-28-21-5-3-4-18(13-21)17-8-6-16(7-9-17)12-19-15-26-20-10-11-23(26)24(22(19)14-20)25(27)29-2/h3-9,12-13,20,22-24H,10-11,14-15H2,1-2H3/b19-12+	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Acenta Discovery, Inc. Curated by ChEMBL					Assay Description Inhibitory constant against reuptake of [3H]-NE at norepinephrine transporter of rat parietal-occipital cortex				Bioorg Med Chem Lett 15: 2461-5 (2005) Article DOI: 10.1016/j.bmcl.2005.03.083 BindingDB Entry DOI: 10.7270/Q23X8645
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50178661 (2-[(3R,4R)-4-(4-chlorophenyl)-1-methylpiperidin-3-...) Show SMILES CC(C)NC(=O)CSC[C@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1 Show InChI InChI=1S/C18H27ClN2OS/c1-13(2)20-18(22)12-23-11-15-10-21(3)9-8-17(15)14-4-6-16(19)7-5-14/h4-7,13,15,17H,8-12H2,1-3H3,(H,20,22)/t15-,17+/m1/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL 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
University of Illinois at Chicago Curated by ChEMBL					Assay Description Ability to inhibit [3H]NE uptake through NET in rat synaptosomes				J Med Chem 48: 7970-9 (2005) Article DOI: 10.1021/jm050694s BindingDB Entry DOI: 10.7270/Q2RF5TMT
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50178667 (2-[(3S,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-...) Show SMILES CC(C)NC(=O)CSC[C@@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1 Show InChI InChI=1S/C18H27ClN2OS/c1-13(2)20-18(22)12-23-11-15-10-21(3)9-8-17(15)14-4-6-16(19)7-5-14/h4-7,13,15,17H,8-12H2,1-3H3,(H,20,22)/t15-,17+/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 Illinois at Chicago Curated by ChEMBL					Assay Description Ability to inhibit [3H]DA uptake through DAT in rat synaptosomes				J Med Chem 48: 7970-9 (2005) Article DOI: 10.1021/jm050694s BindingDB Entry DOI: 10.7270/Q2RF5TMT
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50178657 (2-[(3S,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-...) Show SMILES CN1CC[C@@H]([C@H](CSCC(=O)N2CCCCC2)C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H29ClN2OS/c1-22-12-9-19(16-5-7-18(21)8-6-16)17(13-22)14-25-15-20(24)23-10-3-2-4-11-23/h5-8,17,19H,2-4,9-15H2,1H3/t17-,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL 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 Illinois at Chicago Curated by ChEMBL					Assay Description Ability to inhibit [3H]NE uptake through NET in rat synaptosomes				J Med Chem 48: 7970-9 (2005) Article DOI: 10.1021/jm050694s BindingDB Entry DOI: 10.7270/Q2RF5TMT
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50178667 (2-[(3S,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-...) Show SMILES CC(C)NC(=O)CSC[C@@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1 Show InChI InChI=1S/C18H27ClN2OS/c1-13(2)20-18(22)12-23-11-15-10-21(3)9-8-17(15)14-4-6-16(19)7-5-14/h4-7,13,15,17H,8-12H2,1-3H3,(H,20,22)/t15-,17+/m0/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL 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 Illinois at Chicago Curated by ChEMBL					Assay Description Ability to inhibit [3H]NE uptake through NET in rat synaptosomes				J Med Chem 48: 7970-9 (2005) Article DOI: 10.1021/jm050694s BindingDB Entry DOI: 10.7270/Q2RF5TMT
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50166341 (9-[3-(4-Fluoro-phenyl)-prop-2-yn-(Z)-ylidene]-7-az...) Show SMILES COC(=O)C1C2CCC3CC1\C(CN23)=C\C#Cc1ccc(F)cc1 |TLB:2:4:13:6.7,6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:11.12:8.9| Show InChI InChI=1S/C20H20FNO2/c1-24-20(23)19-17-11-16-9-10-18(19)22(16)12-14(17)4-2-3-13-5-7-15(21)8-6-13/h4-8,16-19H,9-12H2,1H3/b14-4+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Acenta Discovery, Inc. Curated by ChEMBL					Assay Description Inhibitory constant against reuptake of [3H]-5-HT at serotonin transporter of rat midbrain cortex				Bioorg Med Chem Lett 15: 2461-5 (2005) Article DOI: 10.1016/j.bmcl.2005.03.083 BindingDB Entry DOI: 10.7270/Q23X8645
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50178665 (2-[(3S,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-...) Show SMILES CN(C)C(=O)CSC[C@@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1 Show InChI InChI=1S/C17H25ClN2OS/c1-19(2)17(21)12-22-11-14-10-20(3)9-8-16(14)13-4-6-15(18)7-5-13/h4-7,14,16H,8-12H2,1-3H3/t14-,16+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Ability to inhibit [3H]DA uptake through DAT in rat synaptosomes				J Med Chem 48: 7970-9 (2005) Article DOI: 10.1021/jm050694s BindingDB Entry DOI: 10.7270/Q2RF5TMT
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50178653 (2-[(3S,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-...) Show SMILES CNC(=O)CSC[C@@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1 Show InChI InChI=1S/C16H23ClN2OS/c1-18-16(20)11-21-10-13-9-19(2)8-7-15(13)12-3-5-14(17)6-4-12/h3-6,13,15H,7-11H2,1-2H3,(H,18,20)/t13-,15+/m0/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Ability to inhibit [3H]NE uptake through NET in rat synaptosomes				J Med Chem 48: 7970-9 (2005) Article DOI: 10.1021/jm050694s BindingDB Entry DOI: 10.7270/Q2RF5TMT
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50178655 (2-[[(3S,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3...) Show SMILES CN1CC[C@@H]([C@H](CSCC(N)=O)C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C15H21ClN2OS/c1-18-7-6-14(11-2-4-13(16)5-3-11)12(8-18)9-20-10-15(17)19/h2-5,12,14H,6-10H2,1H3,(H2,17,19)/t12-,14+/m0/s1	PDB 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 Illinois at Chicago Curated by ChEMBL					Assay Description Ability to inhibit [3H]5HT uptake through SERT in rat synaptosomes				J Med Chem 48: 7970-9 (2005) Article DOI: 10.1021/jm050694s BindingDB Entry DOI: 10.7270/Q2RF5TMT
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50166329 (9-[3-Thiophen-3-yl-prop-2-yn-(Z)-ylidene]-7-aza-tr...) Show SMILES COC(=O)C1C2CCC3CC1\C(CN23)=C\C#Cc1ccsc1 |TLB:2:4:13:6.7,2:4:11.12:8.9,6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7| Show InChI InChI=1S/C18H19NO2S/c1-21-18(20)17-15-9-14-5-6-16(17)19(14)10-13(15)4-2-3-12-7-8-22-11-12/h4,7-8,11,14-17H,5-6,9-10H2,1H3/b13-4+	PDB Reactome pathway KEGG UniProtKB/TrEMBL 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
Acenta Discovery, Inc. Curated by ChEMBL					Assay Description Inhibitory constant for [3H]-NE reuptake at norepinephrine transporter of rat parietal-occipital cortex				Bioorg Med Chem Lett 15: 2461-5 (2005) Article DOI: 10.1016/j.bmcl.2005.03.083 BindingDB Entry DOI: 10.7270/Q23X8645
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50178669 (2-[[(3R,4R)-4-(4-chlorophenyl)-1-methylpiperidin-3...) Show SMILES CN1CC[C@H]([C@@H](CSCC(=O)NCc2ccccc2)C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H27ClN2OS/c1-25-12-11-21(18-7-9-20(23)10-8-18)19(14-25)15-27-16-22(26)24-13-17-5-3-2-4-6-17/h2-10,19,21H,11-16H2,1H3,(H,24,26)/t19-,21+/m1/s1	PDB 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 Illinois at Chicago Curated by ChEMBL					Assay Description Ability to inhibit [3H]5HT uptake through SERT in rat synaptosomes				J Med Chem 48: 7970-9 (2005) Article DOI: 10.1021/jm050694s BindingDB Entry DOI: 10.7270/Q2RF5TMT
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50178668 (CHEMBL370401 | [(3S,4S)-4-(4-chlorophenyl)-1-methy...) Show SMILES COC(=O)CSC[C@@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1 Show InChI InChI=1S/C16H22ClNO2S/c1-18-8-7-15(12-3-5-14(17)6-4-12)13(9-18)10-21-11-16(19)20-2/h3-6,13,15H,7-11H2,1-2H3/t13-,15+/m0/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL 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 Illinois at Chicago Curated by ChEMBL					Assay Description Ability to inhibit [3H]NE uptake through NET in rat synaptosomes				J Med Chem 48: 7970-9 (2005) Article DOI: 10.1021/jm050694s BindingDB Entry DOI: 10.7270/Q2RF5TMT
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50178658 (2-[[(3S,4R)-4-(4-chlorophenyl)-1-methylpiperidin-3...) Show SMILES CN1CC[C@H]([C@H](CSCC(=O)NCCc2ccccc2)C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H29ClN2OS/c1-26-14-12-22(19-7-9-21(24)10-8-19)20(15-26)16-28-17-23(27)25-13-11-18-5-3-2-4-6-18/h2-10,20,22H,11-17H2,1H3,(H,25,27)/t20-,22-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Ability to inhibit [3H]DA uptake through DAT in rat synaptosomes				J Med Chem 48: 7970-9 (2005) Article DOI: 10.1021/jm050694s BindingDB Entry DOI: 10.7270/Q2RF5TMT
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50178679 (2-[[(3S,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3...) Show SMILES CN1CC[C@@H]([C@H](CSCC(=O)NCc2ccccc2)C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H27ClN2OS/c1-25-12-11-21(18-7-9-20(23)10-8-18)19(14-25)15-27-16-22(26)24-13-17-5-3-2-4-6-17/h2-10,19,21H,11-16H2,1H3,(H,24,26)/t19-,21+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Ability to inhibit [3H]5HT uptake through SERT in rat synaptosomes				J Med Chem 48: 7970-9 (2005) Article DOI: 10.1021/jm050694s BindingDB Entry DOI: 10.7270/Q2RF5TMT
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50178664 (2-[[(3S,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3...) Show SMILES CN1CC[C@@H]([C@H](CSCCO)C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C15H22ClNOS/c1-17-7-6-15(12-2-4-14(16)5-3-12)13(10-17)11-19-9-8-18/h2-5,13,15,18H,6-11H2,1H3/t13-,15+/m0/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL 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
University of Illinois at Chicago Curated by ChEMBL					Assay Description Ability to inhibit [3H]NE uptake through NET in rat synaptosomes				J Med Chem 48: 7970-9 (2005) Article DOI: 10.1021/jm050694s BindingDB Entry DOI: 10.7270/Q2RF5TMT
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50178662 (CHEMBL200056 | acetic acid 2-[[(3S,4S)-4-(4-chloro...) Show SMILES CN1CC[C@@H]([C@H](CSCCOC(C)=O)C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C17H24ClNO2S/c1-13(20)21-9-10-22-12-15-11-19(2)8-7-17(15)14-3-5-16(18)6-4-14/h3-6,15,17H,7-12H2,1-2H3/t15-,17+/m0/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Ability to inhibit [3H]NE uptake through NET in rat synaptosomes				J Med Chem 48: 7970-9 (2005) Article DOI: 10.1021/jm050694s BindingDB Entry DOI: 10.7270/Q2RF5TMT
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50166328 (9-[3-(2,6-Difluoro-phenyl)-prop-2-yn-(Z)-ylidene]-...) Show SMILES COC(=O)C1C2CCC3CC1\C(CN23)=C\C#Cc1c(F)cccc1F |TLB:2:4:13:6.7,2:4:11.12:8.9,6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7| Show InChI InChI=1S/C20H19F2NO2/c1-25-20(24)19-15-10-13-8-9-18(19)23(13)11-12(15)4-2-5-14-16(21)6-3-7-17(14)22/h3-4,6-7,13,15,18-19H,8-11H2,1H3/b12-4+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Acenta Discovery, Inc. Curated by ChEMBL					Assay Description Inhibitory constant against reuptake of [3H]-5-HT at serotonin transporter of rat midbrain cortex				Bioorg Med Chem Lett 15: 2461-5 (2005) Article DOI: 10.1016/j.bmcl.2005.03.083 BindingDB Entry DOI: 10.7270/Q23X8645
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50178659 (2-[[(3S,4R)-4-(4-chlorophenyl)-1-methylpiperidin-3...) Show SMILES CN1CC[C@H]([C@H](CSCC(=O)NCc2ccccc2)C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H27ClN2OS/c1-25-12-11-21(18-7-9-20(23)10-8-18)19(14-25)15-27-16-22(26)24-13-17-5-3-2-4-6-17/h2-10,19,21H,11-16H2,1H3,(H,24,26)/t19-,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Ability to inhibit [3H]NE uptake through NET in rat synaptosomes				J Med Chem 48: 7970-9 (2005) Article DOI: 10.1021/jm050694s BindingDB Entry DOI: 10.7270/Q2RF5TMT
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50166336 (9-[1-[2,3']Bithiophenyl-5-yl-meth-(Z)-ylidene]-7-a...) Show SMILES COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(s1)-c1ccsc1 |TLB:2:4:13:6.7,2:4:11.12:8.9,6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7| Show InChI InChI=1S/C20H21NO2S2/c1-23-20(22)19-16-9-14-2-4-17(19)21(14)10-13(16)8-15-3-5-18(25-15)12-6-7-24-11-12/h3,5-8,11,14,16-17,19H,2,4,9-10H2,1H3/b13-8+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Acenta Discovery, Inc. Curated by ChEMBL					Assay Description Inhibitory constant against reuptake of [3H]-5-HT at serotonin transporter of rat midbrain cortex				Bioorg Med Chem Lett 15: 2461-5 (2005) Article DOI: 10.1016/j.bmcl.2005.03.083 BindingDB Entry DOI: 10.7270/Q23X8645
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50178657 (2-[(3S,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-...) Show SMILES CN1CC[C@@H]([C@H](CSCC(=O)N2CCCCC2)C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H29ClN2OS/c1-22-12-9-19(16-5-7-18(21)8-6-16)17(13-22)14-25-15-20(24)23-10-3-2-4-11-23/h5-8,17,19H,2-4,9-15H2,1H3/t17-,19+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Ability to inhibit [3H]DA uptake through DAT in rat synaptosomes				J Med Chem 48: 7970-9 (2005) Article DOI: 10.1021/jm050694s BindingDB Entry DOI: 10.7270/Q2RF5TMT
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50178661 (2-[(3R,4R)-4-(4-chlorophenyl)-1-methylpiperidin-3-...) Show SMILES CC(C)NC(=O)CSC[C@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1 Show InChI InChI=1S/C18H27ClN2OS/c1-13(2)20-18(22)12-23-11-15-10-21(3)9-8-17(15)14-4-6-16(19)7-5-14/h4-7,13,15,17H,8-12H2,1-3H3,(H,20,22)/t15-,17+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Ability to inhibit [3H]5HT uptake through SERT in rat synaptosomes				J Med Chem 48: 7970-9 (2005) Article DOI: 10.1021/jm050694s BindingDB Entry DOI: 10.7270/Q2RF5TMT
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50178664 (2-[[(3S,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3...) Show SMILES CN1CC[C@@H]([C@H](CSCCO)C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C15H22ClNOS/c1-17-7-6-15(12-2-4-14(16)5-3-12)13(10-17)11-19-9-8-18/h2-5,13,15,18H,6-11H2,1H3/t13-,15+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Ability to inhibit [3H]DA uptake through DAT in rat synaptosomes				J Med Chem 48: 7970-9 (2005) Article DOI: 10.1021/jm050694s BindingDB Entry DOI: 10.7270/Q2RF5TMT
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50178668 (CHEMBL370401 | [(3S,4S)-4-(4-chlorophenyl)-1-methy...) Show SMILES COC(=O)CSC[C@@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1 Show InChI InChI=1S/C16H22ClNO2S/c1-18-8-7-15(12-3-5-14(17)6-4-12)13(9-18)10-21-11-16(19)20-2/h3-6,13,15H,7-11H2,1-2H3/t13-,15+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Ability to inhibit [3H]DA uptake through DAT in rat synaptosomes				J Med Chem 48: 7970-9 (2005) Article DOI: 10.1021/jm050694s BindingDB Entry DOI: 10.7270/Q2RF5TMT
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50178657 (2-[(3S,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-...) Show SMILES CN1CC[C@@H]([C@H](CSCC(=O)N2CCCCC2)C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H29ClN2OS/c1-22-12-9-19(16-5-7-18(21)8-6-16)17(13-22)14-25-15-20(24)23-10-3-2-4-11-23/h5-8,17,19H,2-4,9-15H2,1H3/t17-,19+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Ability to inhibit [3H]5HT uptake through SERT in rat synaptosomes				J Med Chem 48: 7970-9 (2005) Article DOI: 10.1021/jm050694s BindingDB Entry DOI: 10.7270/Q2RF5TMT
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50178652 (2-[[(3S,4R)-4-(4-chlorophenyl)-1-methylpiperidin-3...) Show SMILES CNC(=O)CSC[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1 Show InChI InChI=1S/C16H23ClN2OS/c1-18-16(20)11-21-10-13-9-19(2)8-7-15(13)12-3-5-14(17)6-4-12/h3-6,13,15H,7-11H2,1-2H3,(H,18,20)/t13-,15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Ability to inhibit [3H]NE uptake through NET in rat synaptosomes				J Med Chem 48: 7970-9 (2005) Article DOI: 10.1021/jm050694s BindingDB Entry DOI: 10.7270/Q2RF5TMT
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50178662 (CHEMBL200056 | acetic acid 2-[[(3S,4S)-4-(4-chloro...) Show SMILES CN1CC[C@@H]([C@H](CSCCOC(C)=O)C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C17H24ClNO2S/c1-13(20)21-9-10-22-12-15-11-19(2)8-7-17(15)14-3-5-16(18)6-4-14/h3-6,15,17H,7-12H2,1-2H3/t15-,17+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Ability to inhibit [3H]DA uptake through DAT in rat synaptosomes				J Med Chem 48: 7970-9 (2005) Article DOI: 10.1021/jm050694s BindingDB Entry DOI: 10.7270/Q2RF5TMT
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50178654 (2-[(3R,4R)-4-(4-chlorophenyl)-1-methylpiperidin-3-...) Show SMILES CN(C)C(=O)CSC[C@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1 Show InChI InChI=1S/C17H25ClN2OS/c1-19(2)17(21)12-22-11-14-10-20(3)9-8-16(14)13-4-6-15(18)7-5-13/h4-7,14,16H,8-12H2,1-3H3/t14-,16+/m1/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL 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
University of Illinois at Chicago Curated by ChEMBL					Assay Description Ability to inhibit [3H]NE uptake through NET in rat synaptosomes				J Med Chem 48: 7970-9 (2005) Article DOI: 10.1021/jm050694s BindingDB Entry DOI: 10.7270/Q2RF5TMT
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50166330 (9-[3-(3-Fluoro-4-methyl-phenyl)-prop-2-yn-(Z)-ylid...) Show SMILES COC(=O)C1C2CCC3CC1\C(CN23)=C\C#Cc1ccc(C)c(F)c1 |TLB:2:4:13:6.7,6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:11.12:8.9| Show InChI InChI=1S/C21H22FNO2/c1-13-6-7-14(10-18(13)22)4-3-5-15-12-23-16-8-9-19(23)20(17(15)11-16)21(24)25-2/h5-7,10,16-17,19-20H,8-9,11-12H2,1-2H3/b15-5+	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Acenta Discovery, Inc. Curated by ChEMBL					Assay Description Inhibitory constant against reuptake of [3H]-NE at norepinephrine transporter of rat parietal-occipital cortex				Bioorg Med Chem Lett 15: 2461-5 (2005) Article DOI: 10.1016/j.bmcl.2005.03.083 BindingDB Entry DOI: 10.7270/Q23X8645
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50178656 (CHEMBL197013 | acetic acid 2-[[(3S,4R)-4-(4-chloro...) Show SMILES CN1CC[C@H]([C@H](CSCCOC(C)=O)C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C17H24ClNO2S/c1-13(20)21-9-10-22-12-15-11-19(2)8-7-17(15)14-3-5-16(18)6-4-14/h3-6,15,17H,7-12H2,1-2H3/t15-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Ability to inhibit [3H]NE uptake through NET in rat synaptosomes				J Med Chem 48: 7970-9 (2005) Article DOI: 10.1021/jm050694s BindingDB Entry DOI: 10.7270/Q2RF5TMT
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50178680 (2-[[(3S,4R)-4-(4-chlorophenyl)-1-methylpiperidin-3...) Show SMILES CN1CC[C@H]([C@H](CSCC(N)=O)C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C15H21ClN2OS/c1-18-7-6-14(11-2-4-13(16)5-3-11)12(8-18)9-20-10-15(17)19/h2-5,12,14H,6-10H2,1H3,(H2,17,19)/t12-,14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Ability to inhibit [3H]NE uptake through NET in rat synaptosomes				J Med Chem 48: 7970-9 (2005) Article DOI: 10.1021/jm050694s BindingDB Entry DOI: 10.7270/Q2RF5TMT
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50166326 (9-[1-(4'-Fluoro-biphenyl-4-yl)-meth-(Z)-ylidene]-7...) Show SMILES COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(cc1)-c1ccc(F)cc1 |TLB:2:4:13:6.7,2:4:11.12:8.9,6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7| Show InChI InChI=1S/C24H24FNO2/c1-28-24(27)23-21-13-20-10-11-22(23)26(20)14-18(21)12-15-2-4-16(5-3-15)17-6-8-19(25)9-7-17/h2-9,12,20-23H,10-11,13-14H2,1H3/b18-12+	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Acenta Discovery, Inc. Curated by ChEMBL					Assay Description Inhibitory constant against reuptake of [3H]-NE at norepinephrine transporter of rat parietal-occipital cortex				Bioorg Med Chem Lett 15: 2461-5 (2005) Article DOI: 10.1016/j.bmcl.2005.03.083 BindingDB Entry DOI: 10.7270/Q23X8645
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50178655 (2-[[(3S,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3...) Show SMILES CN1CC[C@@H]([C@H](CSCC(N)=O)C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C15H21ClN2OS/c1-18-7-6-14(11-2-4-13(16)5-3-11)12(8-18)9-20-10-15(17)19/h2-5,12,14H,6-10H2,1H3,(H2,17,19)/t12-,14+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Ability to inhibit [3H]DA uptake through DAT in rat synaptosomes				J Med Chem 48: 7970-9 (2005) Article DOI: 10.1021/jm050694s BindingDB Entry DOI: 10.7270/Q2RF5TMT
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50178669 (2-[[(3R,4R)-4-(4-chlorophenyl)-1-methylpiperidin-3...) Show SMILES CN1CC[C@H]([C@@H](CSCC(=O)NCc2ccccc2)C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H27ClN2OS/c1-25-12-11-21(18-7-9-20(23)10-8-18)19(14-25)15-27-16-22(26)24-13-17-5-3-2-4-6-17/h2-10,19,21H,11-16H2,1H3,(H,24,26)/t19-,21+/m1/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Ability to inhibit [3H]NE uptake through NET in rat synaptosomes				J Med Chem 48: 7970-9 (2005) Article DOI: 10.1021/jm050694s BindingDB Entry DOI: 10.7270/Q2RF5TMT
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50178672 ((3R,4R)-methyl 4-(4-chlorophenyl)-1-methylpiperidi...) Show SMILES COC(=O)[C@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1 Show InChI InChI=1S/C14H18ClNO2/c1-16-8-7-12(13(9-16)14(17)18-2)10-3-5-11(15)6-4-10/h3-6,12-13H,7-9H2,1-2H3/t12-,13-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Ability to inhibit [3H]5HT uptake through SERT in rat synaptosomes				J Med Chem 48: 7970-9 (2005) Article DOI: 10.1021/jm050694s BindingDB Entry DOI: 10.7270/Q2RF5TMT
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50178650 (CHEMBL200713 | benzoic acid 2-[[(3S,4R)-4-(4-chlor...) Show SMILES CN1CC[C@H]([C@H](CSCCOC(=O)c2ccccc2)C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H26ClNO2S/c1-24-12-11-21(17-7-9-20(23)10-8-17)19(15-24)16-27-14-13-26-22(25)18-5-3-2-4-6-18/h2-10,19,21H,11-16H2,1H3/t19-,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Ability to inhibit [3H]NE uptake through NET in rat synaptosomes				J Med Chem 48: 7970-9 (2005) Article DOI: 10.1021/jm050694s BindingDB Entry DOI: 10.7270/Q2RF5TMT
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50178676 (CHEMBL198641 | [(3S,4R)-4-(4-chlorophenyl)-1-methy...) Show SMILES COC(=O)CSC[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1 Show InChI InChI=1S/C16H22ClNO2S/c1-18-8-7-15(12-3-5-14(17)6-4-12)13(9-18)10-21-11-16(19)20-2/h3-6,13,15H,7-11H2,1-2H3/t13-,15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Ability to inhibit [3H]NE uptake through NET in rat synaptosomes				J Med Chem 48: 7970-9 (2005) Article DOI: 10.1021/jm050694s BindingDB Entry DOI: 10.7270/Q2RF5TMT
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50166327 (9-[1-(4'-Methylsulfanyl-biphenyl-4-yl)-meth-(Z)-yl...) Show SMILES COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(cc1)-c1ccc(SC)cc1 |TLB:2:4:13:6.7,2:4:11.12:8.9,6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7| Show InChI InChI=1S/C25H27NO2S/c1-28-25(27)24-22-14-20-9-12-23(24)26(20)15-19(22)13-16-3-5-17(6-4-16)18-7-10-21(29-2)11-8-18/h3-8,10-11,13,20,22-24H,9,12,14-15H2,1-2H3/b19-13+	PDB Reactome pathway KEGG UniProtKB/TrEMBL 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
Acenta Discovery, Inc. Curated by ChEMBL					Assay Description Inhibitory constant against reuptake of [3H]-NE at norepinephrine transporter of rat parietal-occipital cortex				Bioorg Med Chem Lett 15: 2461-5 (2005) Article DOI: 10.1016/j.bmcl.2005.03.083 BindingDB Entry DOI: 10.7270/Q23X8645
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50178665 (2-[(3S,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-...) Show SMILES CN(C)C(=O)CSC[C@@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1 Show InChI InChI=1S/C17H25ClN2OS/c1-19(2)17(21)12-22-11-14-10-20(3)9-8-16(14)13-4-6-15(18)7-5-13/h4-7,14,16H,8-12H2,1-3H3/t14-,16+/m0/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL 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 Illinois at Chicago Curated by ChEMBL					Assay Description Ability to inhibit [3H]NE uptake through NET in rat synaptosomes				J Med Chem 48: 7970-9 (2005) Article DOI: 10.1021/jm050694s BindingDB Entry DOI: 10.7270/Q2RF5TMT
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50178678 (2-[[(3S,4R)-4-(4-chlorophenyl)-1-methylpiperidin-3...) Show SMILES CC(C)NC(=O)CSC[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1 Show InChI InChI=1S/C18H27ClN2OS/c1-13(2)20-18(22)12-23-11-15-10-21(3)9-8-17(15)14-4-6-16(19)7-5-14/h4-7,13,15,17H,8-12H2,1-3H3,(H,20,22)/t15-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL 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
University of Illinois at Chicago Curated by ChEMBL					Assay Description Ability to inhibit [3H]NE uptake through NET in rat synaptosomes				J Med Chem 48: 7970-9 (2005) Article DOI: 10.1021/jm050694s BindingDB Entry DOI: 10.7270/Q2RF5TMT
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50178658 (2-[[(3S,4R)-4-(4-chlorophenyl)-1-methylpiperidin-3...) Show SMILES CN1CC[C@H]([C@H](CSCC(=O)NCCc2ccccc2)C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H29ClN2OS/c1-26-14-12-22(19-7-9-21(24)10-8-19)20(15-26)16-28-17-23(27)25-13-11-18-5-3-2-4-6-18/h2-10,20,22H,11-17H2,1H3,(H,25,27)/t20-,22-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Ability to inhibit [3H]5HT uptake through SERT in rat synaptosomes				J Med Chem 48: 7970-9 (2005) Article DOI: 10.1021/jm050694s BindingDB Entry DOI: 10.7270/Q2RF5TMT
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50166337 (9-[3-(3,4-Difluoro-phenyl)-prop-2-yn-(Z)-ylidene]-...) Show SMILES COC(=O)C1C2CCC3CC1\C(CN23)=C\C#Cc1ccc(F)c(F)c1 |TLB:2:4:13:6.7,6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:11.12:8.9| Show InChI InChI=1S/C20H19F2NO2/c1-25-20(24)19-15-10-14-6-8-18(19)23(14)11-13(15)4-2-3-12-5-7-16(21)17(22)9-12/h4-5,7,9,14-15,18-19H,6,8,10-11H2,1H3/b13-4+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL 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
Acenta Discovery, Inc. Curated by ChEMBL					Assay Description Inhibitory constant against reuptake of [3H]-5-HT at serotonin transporter of rat midbrain cortex				Bioorg Med Chem Lett 15: 2461-5 (2005) Article DOI: 10.1016/j.bmcl.2005.03.083 BindingDB Entry DOI: 10.7270/Q23X8645
					More data for this Ligand-Target Pair

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