Compile Data Set for Download or QSAR

Found 419 hits with Last Name = 'carlier' and Initial = 'pr'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Transporter (Rattus norvegicus)	BDBM50366567 (ATOMOXETINE) Show SMILES CNCC[C@@H](Oc1ccccc1C)c1ccccc1 |r| Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Similars	PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hong Kong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of [3H]- NE reuptake into rat hippocampal synaptosomes				Bioorg Med Chem Lett 8: 487-92 (1999) BindingDB Entry DOI: 10.7270/Q2F76D26
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM22416 ((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...) Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	0.730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hong Kong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT reuptake into rat frontal cortex synaptosomes				Bioorg Med Chem Lett 8: 487-92 (1999) BindingDB Entry DOI: 10.7270/Q2F76D26
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM10439 ((5S)-5-[(10-{[(5S)-2-oxo-1,2,5,6,7,8-hexahydroquin...) Show SMILES O=c1ccc2[C@H](CCCc2[nH]1)NCCCCCCCCCCN[C@H]1CCCc2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C28H42N4O2/c33-27-17-15-21-23(11-9-13-25(21)31-27)29-19-7-5-3-1-2-4-6-8-20-30-24-12-10-14-26-22(24)16-18-28(34)32-26/h15-18,23-24,29-30H,1-14,19-20H2,(H,31,33)(H,32,34)/t23-,24-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.800	-51.4	2.40	n/a	n/a	n/a	n/a	7.0	22
Weizmann Institute of Science					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at ...				J Am Chem Soc 125: 363-73 (2003) Article DOI: 10.1021/ja021111w BindingDB Entry DOI: 10.7270/Q26D5R69
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50124895 (CHEMBL3623568) Show SMILES CC(=O)C(F)(F)CCC(C)(C)C Show InChI InChI=1S/C9H16F2O/c1-7(12)9(10,11)6-5-8(2,3)4/h5-6H2,1-4H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Tech Curated by ChEMBL					Assay Description Inhibition of electric eel AChE				Bioorg Med Chem Lett 25: 4405-11 (2015) Article DOI: 10.1016/j.bmcl.2015.09.019 BindingDB Entry DOI: 10.7270/Q2Z60QV8
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50069449 ((2R,3R)-1-Dimethylamino-4,4-dimethyl-2-naphthalen-...) Show SMILES CN(C)C[C@H]([C@@H](O)C(C)(C)C)c1ccc2ccccc2c1 Show InChI InChI=1S/C19H27NO/c1-19(2,3)18(21)17(13-20(4)5)16-11-10-14-8-6-7-9-15(14)12-16/h6-12,17-18,21H,13H2,1-5H3/t17-,18+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hong Kong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT reuptake into rat frontal cortex synaptosomes				Bioorg Med Chem Lett 8: 487-92 (1999) BindingDB Entry DOI: 10.7270/Q2F76D26
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50028094 ((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...) Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12 |r| Show InChI InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hong Kong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT reuptake into rat frontal cortex synaptosomes				Bioorg Med Chem Lett 8: 487-92 (1999) BindingDB Entry DOI: 10.7270/Q2F76D26
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50069453 ((1R,2R)-3-Dimethylamino-2-naphthalen-2-yl-1-phenyl...) Show SMILES CN(C)C[C@H]([C@@H](O)c1ccccc1)c1ccc2ccccc2c1 Show InChI InChI=1S/C21H23NO/c1-22(2)15-20(21(23)17-9-4-3-5-10-17)19-13-12-16-8-6-7-11-18(16)14-19/h3-14,20-21,23H,15H2,1-2H3/t20-,21-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hong Kong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT reuptake into rat frontal cortex synaptosomes				Bioorg Med Chem Lett 8: 487-92 (1999) BindingDB Entry DOI: 10.7270/Q2F76D26
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM10440 ((5S)-5-[(12-{[(5S)-2-oxo-1,2,5,6,7,8-hexahydroquin...) Show SMILES O=c1ccc2[C@H](CCCc2[nH]1)NCCCCCCCCCCCCN[C@H]1CCCc2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C30H46N4O2/c35-29-19-17-23-25(13-11-15-27(23)33-29)31-21-9-7-5-3-1-2-4-6-8-10-22-32-26-14-12-16-28-24(26)18-20-30(36)34-28/h17-20,25-26,31-32H,1-16,21-22H2,(H,33,35)(H,34,36)/t25-,26-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	4.5	-47.2	16	n/a	n/a	n/a	n/a	7.0	22
Weizmann Institute of Science					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at ...				J Am Chem Soc 125: 363-73 (2003) Article DOI: 10.1021/ja021111w BindingDB Entry DOI: 10.7270/Q26D5R69
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50069448 ((1R,2R)-3-Amino-2-naphthalen-2-yl-1-phenyl-propan-...) Show SMILES NC[C@H]([C@@H](O)c1ccccc1)c1ccc2ccccc2c1 Show InChI InChI=1S/C19H19NO/c20-13-18(19(21)15-7-2-1-3-8-15)17-11-10-14-6-4-5-9-16(14)12-17/h1-12,18-19,21H,13,20H2/t18-,19-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hong Kong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of [3H]- DA reuptake into rat striatal synaptosomes				Bioorg Med Chem Lett 8: 487-92 (1999) BindingDB Entry DOI: 10.7270/Q2F76D26
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50069448 ((1R,2R)-3-Amino-2-naphthalen-2-yl-1-phenyl-propan-...) Show SMILES NC[C@H]([C@@H](O)c1ccccc1)c1ccc2ccccc2c1 Show InChI InChI=1S/C19H19NO/c20-13-18(19(21)15-7-2-1-3-8-15)17-11-10-14-6-4-5-9-16(14)12-17/h1-12,18-19,21H,13,20H2/t18-,19-/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hong Kong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of [3H]- NE reuptake into rat hippocampal synaptosomes				Bioorg Med Chem Lett 8: 487-92 (1999) BindingDB Entry DOI: 10.7270/Q2F76D26
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50069449 ((2R,3R)-1-Dimethylamino-4,4-dimethyl-2-naphthalen-...) Show SMILES CN(C)C[C@H]([C@@H](O)C(C)(C)C)c1ccc2ccccc2c1 Show InChI InChI=1S/C19H27NO/c1-19(2,3)18(21)17(13-20(4)5)16-11-10-14-8-6-7-9-15(14)12-16/h6-12,17-18,21H,13H2,1-5H3/t17-,18+/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hong Kong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of [3H]- NE reuptake into rat hippocampal synaptosomes				Bioorg Med Chem Lett 8: 487-92 (1999) BindingDB Entry DOI: 10.7270/Q2F76D26
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50069453 ((1R,2R)-3-Dimethylamino-2-naphthalen-2-yl-1-phenyl...) Show SMILES CN(C)C[C@H]([C@@H](O)c1ccccc1)c1ccc2ccccc2c1 Show InChI InChI=1S/C21H23NO/c1-22(2)15-20(21(23)17-9-4-3-5-10-17)19-13-12-16-8-6-7-11-18(16)14-19/h3-14,20-21,23H,15H2,1-2H3/t20-,21-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hong Kong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of [3H]- DA reuptake into rat striatal synaptosomes				Bioorg Med Chem Lett 8: 487-92 (1999) BindingDB Entry DOI: 10.7270/Q2F76D26
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50069442 ((2R,3R)-1-Amino-4,4-dimethyl-2-naphthalen-2-yl-pen...) Show SMILES CC(C)(C)[C@H](O)[C@@H](CN)c1ccc2ccccc2c1 Show InChI InChI=1S/C17H23NO/c1-17(2,3)16(19)15(11-18)14-9-8-12-6-4-5-7-13(12)10-14/h4-10,15-16,19H,11,18H2,1-3H3/t15-,16+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hong Kong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT reuptake into rat frontal cortex synaptosomes				Bioorg Med Chem Lett 8: 487-92 (1999) BindingDB Entry DOI: 10.7270/Q2F76D26
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM30130 (CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...) Show SMILES CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hong Kong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT reuptake into rat frontal cortex synaptosomes				Bioorg Med Chem Lett 8: 487-92 (1999) BindingDB Entry DOI: 10.7270/Q2F76D26
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50069453 ((1R,2R)-3-Dimethylamino-2-naphthalen-2-yl-1-phenyl...) Show SMILES CN(C)C[C@H]([C@@H](O)c1ccccc1)c1ccc2ccccc2c1 Show InChI InChI=1S/C21H23NO/c1-22(2)15-20(21(23)17-9-4-3-5-10-17)19-13-12-16-8-6-7-11-18(16)14-19/h3-14,20-21,23H,15H2,1-2H3/t20-,21-/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hong Kong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of [3H]- NE reuptake into rat hippocampal synaptosomes				Bioorg Med Chem Lett 8: 487-92 (1999) BindingDB Entry DOI: 10.7270/Q2F76D26
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM10440 ((5S)-5-[(12-{[(5S)-2-oxo-1,2,5,6,7,8-hexahydroquin...) Show SMILES O=c1ccc2[C@H](CCCc2[nH]1)NCCCCCCCCCCCCN[C@H]1CCCc2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C30H46N4O2/c35-29-19-17-23-25(13-11-15-27(23)33-29)31-21-9-7-5-3-1-2-4-6-8-10-22-32-26-14-12-16-28-24(26)18-20-30(36)34-28/h17-20,25-26,31-32H,1-16,21-22H2,(H,33,35)(H,34,36)/t25-,26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	19.6	-43.6	52	n/a	n/a	n/a	n/a	7.0	22
Weizmann Institute of Science					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at ...				J Am Chem Soc 125: 363-73 (2003) Article DOI: 10.1021/ja021111w BindingDB Entry DOI: 10.7270/Q26D5R69
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50069448 ((1R,2R)-3-Amino-2-naphthalen-2-yl-1-phenyl-propan-...) Show SMILES NC[C@H]([C@@H](O)c1ccccc1)c1ccc2ccccc2c1 Show InChI InChI=1S/C19H19NO/c20-13-18(19(21)15-7-2-1-3-8-15)17-11-10-14-6-4-5-9-16(14)12-17/h1-12,18-19,21H,13,20H2/t18-,19-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hong Kong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT reuptake into rat frontal cortex synaptosomes				Bioorg Med Chem Lett 8: 487-92 (1999) BindingDB Entry DOI: 10.7270/Q2F76D26
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50069446 ((1S,2R)-1-Cyclohexyl-3-dimethylamino-2-(4-methoxy-...) Show SMILES COc1ccc(cc1)[C@H](CN(C)C)[C@@H](O)C1CCCCC1 Show InChI InChI=1S/C18H29NO2/c1-19(2)13-17(14-9-11-16(21-3)12-10-14)18(20)15-7-5-4-6-8-15/h9-12,15,17-18,20H,4-8,13H2,1-3H3/t17-,18-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hong Kong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT reuptake into rat frontal cortex synaptosomes				Bioorg Med Chem Lett 8: 487-92 (1999) BindingDB Entry DOI: 10.7270/Q2F76D26
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM22416 ((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...) Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hong Kong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of [3H]- NE reuptake into rat hippocampal synaptosomes				Bioorg Med Chem Lett 8: 487-92 (1999) BindingDB Entry DOI: 10.7270/Q2F76D26
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM82071 (CAS_93413-69-5 | CAS_99300-78-4 | NSC_62923 | VENL...) Show SMILES COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1 Show InChI InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hong Kong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT reuptake into rat frontal cortex synaptosomes				Bioorg Med Chem Lett 8: 487-92 (1999) BindingDB Entry DOI: 10.7270/Q2F76D26
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50366567 (ATOMOXETINE) Show SMILES CNCC[C@@H](Oc1ccccc1C)c1ccccc1 |r| Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Similars	PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hong Kong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT reuptake into rat frontal cortex synaptosomes				Bioorg Med Chem Lett 8: 487-92 (1999) BindingDB Entry DOI: 10.7270/Q2F76D26
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50069442 ((2R,3R)-1-Amino-4,4-dimethyl-2-naphthalen-2-yl-pen...) Show SMILES CC(C)(C)[C@H](O)[C@@H](CN)c1ccc2ccccc2c1 Show InChI InChI=1S/C17H23NO/c1-17(2,3)16(19)15(11-18)14-9-8-12-6-4-5-7-13(12)10-14/h4-10,15-16,19H,11,18H2,1-3H3/t15-,16+/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hong Kong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of [3H]- NE reuptake into rat hippocampal synaptosomes				Bioorg Med Chem Lett 8: 487-92 (1999) BindingDB Entry DOI: 10.7270/Q2F76D26
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM10441 ((+)-Huperzine A | (+/-)Huperzine A | (-)-Huperzine...) Show SMILES C\C=C1/C2Cc3[nH]c(=O)ccc3C1(N)CC(C)=C2 |c:18,TLB:10:11:2:17.15.14,THB:1:2:4.5.11:17.15.14| Show InChI InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/b11-3+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	47.1	-41.4	114	n/a	n/a	n/a	n/a	7.0	22
Weizmann Institute of Science					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at ...				J Am Chem Soc 125: 363-73 (2003) Article DOI: 10.1021/ja021111w BindingDB Entry DOI: 10.7270/Q26D5R69
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50069452 ((1R,2R)-3-Dimethylamino-2-phenyl-1-(2,4,6-trimethy...) Show SMILES CN(C)C[C@H]([C@@H](O)c1c(C)cc(C)cc1C)c1ccccc1 Show InChI InChI=1S/C20H27NO/c1-14-11-15(2)19(16(3)12-14)20(22)18(13-21(4)5)17-9-7-6-8-10-17/h6-12,18,20,22H,13H2,1-5H3/t18-,20+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hong Kong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT reuptake into rat frontal cortex synaptosomes				Bioorg Med Chem Lett 8: 487-92 (1999) BindingDB Entry DOI: 10.7270/Q2F76D26
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50069449 ((2R,3R)-1-Dimethylamino-4,4-dimethyl-2-naphthalen-...) Show SMILES CN(C)C[C@H]([C@@H](O)C(C)(C)C)c1ccc2ccccc2c1 Show InChI InChI=1S/C19H27NO/c1-19(2,3)18(21)17(13-20(4)5)16-11-10-14-8-6-7-9-15(14)12-16/h6-12,17-18,21H,13H2,1-5H3/t17-,18+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hong Kong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of [3H]- DA reuptake into rat striatal synaptosomes				Bioorg Med Chem Lett 8: 487-92 (1999) BindingDB Entry DOI: 10.7270/Q2F76D26
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50069450 ((2R,3R)-1-Dimethylamino-4,4-dimethyl-2-phenyl-pent...) Show SMILES CN(C)C[C@H]([C@@H](O)C(C)(C)C)c1ccccc1 Show InChI InChI=1S/C15H25NO/c1-15(2,3)14(17)13(11-16(4)5)12-9-7-6-8-10-12/h6-10,13-14,17H,11H2,1-5H3/t13-,14+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hong Kong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT reuptake into rat frontal cortex synaptosomes				Bioorg Med Chem Lett 8: 487-92 (1999) BindingDB Entry DOI: 10.7270/Q2F76D26
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50069442 ((2R,3R)-1-Amino-4,4-dimethyl-2-naphthalen-2-yl-pen...) Show SMILES CC(C)(C)[C@H](O)[C@@H](CN)c1ccc2ccccc2c1 Show InChI InChI=1S/C17H23NO/c1-17(2,3)16(19)15(11-18)14-9-8-12-6-4-5-7-13(12)10-14/h4-10,15-16,19H,11,18H2,1-3H3/t15-,16+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hong Kong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of [3H]- DA reuptake into rat striatal synaptosomes				Bioorg Med Chem Lett 8: 487-92 (1999) BindingDB Entry DOI: 10.7270/Q2F76D26
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50069447 (1-(3-(4-(m-Chlorophenyl)-1-piperazinyl)propyl)-3-e...) Show SMILES CCc1nn(CCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)n1CCOc1ccccc1 Show InChI InChI=1S/C25H32ClN5O2/c1-2-24-27-31(25(32)30(24)18-19-33-23-10-4-3-5-11-23)13-7-12-28-14-16-29(17-15-28)22-9-6-8-21(26)20-22/h3-6,8-11,20H,2,7,12-19H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	137	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hong Kong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT reuptake into rat frontal cortex synaptosomes				Bioorg Med Chem Lett 8: 487-92 (1999) BindingDB Entry DOI: 10.7270/Q2F76D26
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM82071 (CAS_93413-69-5 | CAS_99300-78-4 | NSC_62923 | VENL...) Show SMILES COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1 Show InChI InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PubMed	138	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hong Kong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of [3H]- NE reuptake into rat hippocampal synaptosomes				Bioorg Med Chem Lett 8: 487-92 (1999) BindingDB Entry DOI: 10.7270/Q2F76D26
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM30130 (CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...) Show SMILES CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	143	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hong Kong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of [3H]- NE reuptake into rat hippocampal synaptosomes				Bioorg Med Chem Lett 8: 487-92 (1999) BindingDB Entry DOI: 10.7270/Q2F76D26
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50069454 ((1S,2R)-3-Amino-1-cyclohexyl-2-(4-methoxy-phenyl)-...) Show SMILES COc1ccc(cc1)[C@H](CN)[C@@H](O)C1CCCCC1 Show InChI InChI=1S/C16H25NO2/c1-19-14-9-7-12(8-10-14)15(11-17)16(18)13-5-3-2-4-6-13/h7-10,13,15-16,18H,2-6,11,17H2,1H3/t15-,16-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	164	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hong Kong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT reuptake into rat frontal cortex synaptosomes				Bioorg Med Chem Lett 8: 487-92 (1999) BindingDB Entry DOI: 10.7270/Q2F76D26
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50025691 (2-(2-Ethoxy-phenoxymethyl)-morpholine | 2-(2-Ethox...) Show SMILES CCOc1ccccc1OCC1CNCCO1 Show InChI InChI=1S/C13H19NO3/c1-2-15-12-5-3-4-6-13(12)17-10-11-9-14-7-8-16-11/h3-6,11,14H,2,7-10H2,1H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hong Kong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of [3H]- NE reuptake into rat hippocampal synaptosomes				Bioorg Med Chem Lett 8: 487-92 (1999) BindingDB Entry DOI: 10.7270/Q2F76D26
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM10441 ((+)-Huperzine A | (+/-)Huperzine A | (-)-Huperzine...) Show SMILES C\C=C1/C2Cc3[nH]c(=O)ccc3C1(N)CC(C)=C2 |c:18,TLB:10:11:2:17.15.14,THB:1:2:4.5.11:17.15.14| Show InChI InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/b11-3+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	175	-38.2	414	n/a	n/a	n/a	n/a	7.0	22
Weizmann Institute of Science					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at ...				J Am Chem Soc 125: 363-73 (2003) Article DOI: 10.1021/ja021111w BindingDB Entry DOI: 10.7270/Q26D5R69
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50069445 ((1R,2R)-3-Dimethylamino-1,2-diphenyl-propan-1-ol; ...) Show SMILES CN(C)C[C@H]([C@@H](O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C17H21NO/c1-18(2)13-16(14-9-5-3-6-10-14)17(19)15-11-7-4-8-12-15/h3-12,16-17,19H,13H2,1-2H3/t16-,17-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hong Kong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT reuptake into rat frontal cortex synaptosomes				Bioorg Med Chem Lett 8: 487-92 (1999) BindingDB Entry DOI: 10.7270/Q2F76D26
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50069446 ((1S,2R)-1-Cyclohexyl-3-dimethylamino-2-(4-methoxy-...) Show SMILES COc1ccc(cc1)[C@H](CN(C)C)[C@@H](O)C1CCCCC1 Show InChI InChI=1S/C18H29NO2/c1-19(2)13-17(14-9-11-16(21-3)12-10-14)18(20)15-7-5-4-6-8-15/h9-12,15,17-18,20H,4-8,13H2,1-3H3/t17-,18-/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hong Kong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of [3H]- NE reuptake into rat hippocampal synaptosomes				Bioorg Med Chem Lett 8: 487-92 (1999) BindingDB Entry DOI: 10.7270/Q2F76D26
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50028094 ((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...) Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12 |r| Show InChI InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17-/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hong Kong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of [3H]- NE reuptake into rat hippocampal synaptosomes				Bioorg Med Chem Lett 8: 487-92 (1999) BindingDB Entry DOI: 10.7270/Q2F76D26
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50028094 ((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...) Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12 |r| Show InChI InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hong Kong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of [3H]- DA reuptake into rat striatal synaptosomes				Bioorg Med Chem Lett 8: 487-92 (1999) BindingDB Entry DOI: 10.7270/Q2F76D26
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50069454 ((1S,2R)-3-Amino-1-cyclohexyl-2-(4-methoxy-phenyl)-...) Show SMILES COc1ccc(cc1)[C@H](CN)[C@@H](O)C1CCCCC1 Show InChI InChI=1S/C16H25NO2/c1-19-14-9-7-12(8-10-14)15(11-17)16(18)13-5-3-2-4-6-13/h7-10,13,15-16,18H,2-6,11,17H2,1H3/t15-,16-/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hong Kong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of [3H]- NE reuptake into rat hippocampal synaptosomes				Bioorg Med Chem Lett 8: 487-92 (1999) BindingDB Entry DOI: 10.7270/Q2F76D26
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM82071 (CAS_93413-69-5 | CAS_99300-78-4 | NSC_62923 | VENL...) Show SMILES COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1 Show InChI InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PubMed	360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hong Kong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of [3H]- DA reuptake into rat striatal synaptosomes				Bioorg Med Chem Lett 8: 487-92 (1999) BindingDB Entry DOI: 10.7270/Q2F76D26
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50069447 (1-(3-(4-(m-Chlorophenyl)-1-piperazinyl)propyl)-3-e...) Show SMILES CCc1nn(CCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)n1CCOc1ccccc1 Show InChI InChI=1S/C25H32ClN5O2/c1-2-24-27-31(25(32)30(24)18-19-33-23-10-4-3-5-11-23)13-7-12-28-14-16-29(17-15-28)22-9-6-8-21(26)20-22/h3-6,8-11,20H,2,7,12-19H2,1H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hong Kong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of [3H]- NE reuptake into rat hippocampal synaptosomes				Bioorg Med Chem Lett 8: 487-92 (1999) BindingDB Entry DOI: 10.7270/Q2F76D26
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50069446 ((1S,2R)-1-Cyclohexyl-3-dimethylamino-2-(4-methoxy-...) Show SMILES COc1ccc(cc1)[C@H](CN(C)C)[C@@H](O)C1CCCCC1 Show InChI InChI=1S/C18H29NO2/c1-19(2)13-17(14-9-11-16(21-3)12-10-14)18(20)15-7-5-4-6-8-15/h9-12,15,17-18,20H,4-8,13H2,1-3H3/t17-,18-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hong Kong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of [3H]- DA reuptake into rat striatal synaptosomes				Bioorg Med Chem Lett 8: 487-92 (1999) BindingDB Entry DOI: 10.7270/Q2F76D26
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50069444 ((1R,2R)-3-Amino-2-phenyl-1-(2,4,6-trimethyl-phenyl...) Show SMILES Cc1cc(C)c([C@H](O)[C@@H](CN)c2ccccc2)c(C)c1 Show InChI InChI=1S/C18H23NO/c1-12-9-13(2)17(14(3)10-12)18(20)16(11-19)15-7-5-4-6-8-15/h4-10,16,18,20H,11,19H2,1-3H3/t16-,18+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	643	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hong Kong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT reuptake into rat frontal cortex synaptosomes				Bioorg Med Chem Lett 8: 487-92 (1999) BindingDB Entry DOI: 10.7270/Q2F76D26
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50069451 ((2R,3R)-1-Amino-4,4-dimethyl-2-phenyl-pentan-3-ol;...) Show SMILES CC(C)(C)[C@H](O)[C@@H](CN)c1ccccc1 Show InChI InChI=1S/C13H21NO/c1-13(2,3)12(15)11(9-14)10-7-5-4-6-8-10/h4-8,11-12,15H,9,14H2,1-3H3/t11-,12+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hong Kong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT reuptake into rat frontal cortex synaptosomes				Bioorg Med Chem Lett 8: 487-92 (1999) BindingDB Entry DOI: 10.7270/Q2F76D26
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50069450 ((2R,3R)-1-Dimethylamino-4,4-dimethyl-2-phenyl-pent...) Show SMILES CN(C)C[C@H]([C@@H](O)C(C)(C)C)c1ccccc1 Show InChI InChI=1S/C15H25NO/c1-15(2,3)14(17)13(11-16(4)5)12-9-7-6-8-10-12/h6-10,13-14,17H,11H2,1-5H3/t13-,14+/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	830	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hong Kong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of [3H]- NE reuptake into rat hippocampal synaptosomes				Bioorg Med Chem Lett 8: 487-92 (1999) BindingDB Entry DOI: 10.7270/Q2F76D26
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50069445 ((1R,2R)-3-Dimethylamino-1,2-diphenyl-propan-1-ol; ...) Show SMILES CN(C)C[C@H]([C@@H](O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C17H21NO/c1-18(2)13-16(14-9-5-3-6-10-14)17(19)15-11-7-4-8-12-15/h3-12,16-17,19H,13H2,1-2H3/t16-,17-/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	990	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hong Kong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of [3H]- NE reuptake into rat hippocampal synaptosomes				Bioorg Med Chem Lett 8: 487-92 (1999) BindingDB Entry DOI: 10.7270/Q2F76D26
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50069450 ((2R,3R)-1-Dimethylamino-4,4-dimethyl-2-phenyl-pent...) Show SMILES CN(C)C[C@H]([C@@H](O)C(C)(C)C)c1ccccc1 Show InChI InChI=1S/C15H25NO/c1-15(2,3)14(17)13(11-16(4)5)12-9-7-6-8-10-12/h6-10,13-14,17H,11H2,1-5H3/t13-,14+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hong Kong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of [3H]- DA reuptake into rat striatal synaptosomes				Bioorg Med Chem Lett 8: 487-92 (1999) BindingDB Entry DOI: 10.7270/Q2F76D26
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50366567 (ATOMOXETINE) Show SMILES CNCC[C@@H](Oc1ccccc1C)c1ccccc1 |r| Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Similars	PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hong Kong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of [3H]- DA reuptake into rat striatal synaptosomes				Bioorg Med Chem Lett 8: 487-92 (1999) BindingDB Entry DOI: 10.7270/Q2F76D26
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50069454 ((1S,2R)-3-Amino-1-cyclohexyl-2-(4-methoxy-phenyl)-...) Show SMILES COc1ccc(cc1)[C@H](CN)[C@@H](O)C1CCCCC1 Show InChI InChI=1S/C16H25NO2/c1-19-14-9-7-12(8-10-14)15(11-17)16(18)13-5-3-2-4-6-13/h7-10,13,15-16,18H,2-6,11,17H2,1H3/t15-,16-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	1.46E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hong Kong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of [3H]- DA reuptake into rat striatal synaptosomes				Bioorg Med Chem Lett 8: 487-92 (1999) BindingDB Entry DOI: 10.7270/Q2F76D26
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50069445 ((1R,2R)-3-Dimethylamino-1,2-diphenyl-propan-1-ol; ...) Show SMILES CN(C)C[C@H]([C@@H](O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C17H21NO/c1-18(2)13-16(14-9-5-3-6-10-14)17(19)15-11-7-4-8-12-15/h3-12,16-17,19H,13H2,1-2H3/t16-,17-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.55E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hong Kong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of [3H]- DA reuptake into rat striatal synaptosomes				Bioorg Med Chem Lett 8: 487-92 (1999) BindingDB Entry DOI: 10.7270/Q2F76D26
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM22416 ((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...) Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hong Kong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of [3H]- DA reuptake into rat striatal synaptosomes				Bioorg Med Chem Lett 8: 487-92 (1999) BindingDB Entry DOI: 10.7270/Q2F76D26
					More data for this Ligand-Target Pair

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