Compile Data Set for Download or QSAR

Found 116 hits Enz. Inhib. hit(s) with all data for entry = 50046108   

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
Vesicular acetylcholine transporter (Torpedo californica)	BDBM50039623 ((2R,3R)-5-Amino-3-(4-phenyl-piperidin-1-yl)-1,2,3,...) Show SMILES Nc1cccc2C[C@@H](O)[C@@H](Cc12)N1CCC(CC1)c1ccccc1 Show InChI InChI=1S/C21H26N2O/c22-19-8-4-7-17-13-21(24)20(14-18(17)19)23-11-9-16(10-12-23)15-5-2-1-3-6-15/h1-8,16,20-21,24H,9-14,22H2/t20-,21-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Radiopharmaceutical Cancer Research Curated by ChEMBL					Assay Description Displacement of (-)-[3H]vesamicol from VAChT in Torpedo californica electric organ synaptic vesicles				Eur J Med Chem 100: 50-67 (2015) Article DOI: 10.1016/j.ejmech.2015.05.033 BindingDB Entry DOI: 10.7270/Q28C9XZ1
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Torpedo californica)	BDBM50039613 ((2R,3R)-3-(4-Phenyl-piperidin-1-yl)-1,2,3,4-tetrah...) Show SMILES O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)c1ccccc1 |r| Show InChI InChI=1S/C21H25NO/c23-21-15-19-9-5-4-8-18(19)14-20(21)22-12-10-17(11-13-22)16-6-2-1-3-7-16/h1-9,17,20-21,23H,10-15H2/t20-,21-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Radiopharmaceutical Cancer Research Curated by ChEMBL					Assay Description Displacement of (-)-[3H]vesamicol from VAChT in Torpedo californica electric organ synaptic vesicles				Eur J Med Chem 100: 50-67 (2015) Article DOI: 10.1016/j.ejmech.2015.05.033 BindingDB Entry DOI: 10.7270/Q28C9XZ1
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Torpedo californica)	BDBM50095010 (CHEMBL264437) Show SMILES O[C@@H]1CC=CC[C@H]1N1CCC(CC1)c1ccccc1 |c:3| Show InChI InChI=1S/C17H23NO/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14/h1-7,15-17,19H,8-13H2/t16-,17-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Radiopharmaceutical Cancer Research Curated by ChEMBL					Assay Description Displacement of (-)-[3H]vesamicol from VAChT in Torpedo californica electric organ synaptic vesicles				Eur J Med Chem 100: 50-67 (2015) Article DOI: 10.1016/j.ejmech.2015.05.033 BindingDB Entry DOI: 10.7270/Q28C9XZ1
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Torpedo californica)	BDBM50018094 ((1R,2R)-2-(4-Phenyl-piperidin-1-yl)-cyclohexanol |...) Show SMILES O[C@@H]1CCCC[C@H]1N1CCC(CC1)c1ccccc1 |r| Show InChI InChI=1S/C17H25NO/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14/h1-3,6-7,15-17,19H,4-5,8-13H2/t16-,17-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Radiopharmaceutical Cancer Research Curated by ChEMBL					Assay Description Binding affinity to VAChT Torpedo californica electric organ synaptic vesicles				Eur J Med Chem 100: 50-67 (2015) Article DOI: 10.1016/j.ejmech.2015.05.033 BindingDB Entry DOI: 10.7270/Q28C9XZ1
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Rattus norvegicus)	BDBM50039613 ((2R,3R)-3-(4-Phenyl-piperidin-1-yl)-1,2,3,4-tetrah...) Show SMILES O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)c1ccccc1 |r| Show InChI InChI=1S/C21H25NO/c23-21-15-19-9-5-4-8-18(19)14-20(21)22-12-10-17(11-13-22)16-6-2-1-3-7-16/h1-9,17,20-21,23H,10-15H2/t20-,21-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Radiopharmaceutical Cancer Research Curated by ChEMBL					Assay Description Displacement of (-)-[3H]vesamicol from rat VAChT expressed in PC12 cell membranes incubated for 2 hrs by liquid scintillation counting based competit...				Eur J Med Chem 100: 50-67 (2015) Article DOI: 10.1016/j.ejmech.2015.05.033 BindingDB Entry DOI: 10.7270/Q28C9XZ1
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Torpedo californica)	BDBM50292907 ((+)-trans-(4-fluorophenyl)(1-(3-hydroxy-1,2,3,4-te...) Show SMILES O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)C(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C22H24FNO2/c23-19-7-5-15(6-8-19)22(26)16-9-11-24(12-10-16)20-13-17-3-1-2-4-18(17)14-21(20)25/h1-8,16,20-21,25H,9-14H2/t20-,21-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Radiopharmaceutical Cancer Research Curated by ChEMBL					Assay Description Displacement of (-)-[3H]vesamicol from VAChT in Torpedo californica electric organ synaptic vesicles				Eur J Med Chem 100: 50-67 (2015) Article DOI: 10.1016/j.ejmech.2015.05.033 BindingDB Entry DOI: 10.7270/Q28C9XZ1
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50095010 (CHEMBL264437) Show SMILES O[C@@H]1CC=CC[C@H]1N1CCC(CC1)c1ccccc1 |c:3| Show InChI InChI=1S/C17H23NO/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14/h1-7,15-17,19H,8-13H2/t16-,17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Radiopharmaceutical Cancer Research Curated by ChEMBL					Assay Description Displacement of (-)-[3H]pentazocine from sigma1 receptor in Sprague-Dawley rat cortical membranes incubated for 2 hrs by liquid scintillation countin...				Eur J Med Chem 100: 50-67 (2015) Article DOI: 10.1016/j.ejmech.2015.05.033 BindingDB Entry DOI: 10.7270/Q28C9XZ1
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Rattus norvegicus)	BDBM50095015 (CHEMBL3589727) Show SMILES O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(=CC1)c1ccccc1 |r,c:16| Show InChI InChI=1S/C21H23NO/c23-21-15-19-9-5-4-8-18(19)14-20(21)22-12-10-17(11-13-22)16-6-2-1-3-7-16/h1-10,20-21,23H,11-15H2/t20-,21-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Radiopharmaceutical Cancer Research Curated by ChEMBL					Assay Description Displacement of (-)-[3H]vesamicol from rat VAChT expressed in PC12 cell membranes incubated for 2 hrs by liquid scintillation counting based competit...				Eur J Med Chem 100: 50-67 (2015) Article DOI: 10.1016/j.ejmech.2015.05.033 BindingDB Entry DOI: 10.7270/Q28C9XZ1
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50095011 (CHEMBL3589731) Show SMILES O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)c1ccncc1 |r| Show InChI InChI=1S/C20H24N2O/c23-20-14-18-4-2-1-3-17(18)13-19(20)22-11-7-16(8-12-22)15-5-9-21-10-6-15/h1-6,9-10,16,19-20,23H,7-8,11-14H2/t19-,20-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Radiopharmaceutical Cancer Research Curated by ChEMBL					Assay Description Displacement of (-)-[3H]pentazocine from sigma1 receptor in Sprague-Dawley rat cortical membranes incubated for 2 hrs by liquid scintillation countin...				Eur J Med Chem 100: 50-67 (2015) Article DOI: 10.1016/j.ejmech.2015.05.033 BindingDB Entry DOI: 10.7270/Q28C9XZ1
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50095024 (CHEMBL3589719) Show SMILES O[C@@H]1C[C@H](CC[C@H]1N1CCC(Cc2ccccc2)CC1)OCc1ccc(F)cc1 |r| Show InChI InChI=1S/C25H32FNO2/c26-22-8-6-21(7-9-22)18-29-23-10-11-24(25(28)17-23)27-14-12-20(13-15-27)16-19-4-2-1-3-5-19/h1-9,20,23-25,28H,10-18H2/t23-,24+,25+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Radiopharmaceutical Cancer Research Curated by ChEMBL					Assay Description Displacement of (-)-[3H]pentazocine from sigma1 receptor in Sprague-Dawley rat cortical membranes incubated for 2 hrs by liquid scintillation countin...				Eur J Med Chem 100: 50-67 (2015) Article DOI: 10.1016/j.ejmech.2015.05.033 BindingDB Entry DOI: 10.7270/Q28C9XZ1
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50095080 (CHEMBL3590030) Show SMILES O[C@@H]1CCCC[C@H]1N1CCC(=CC1)c1ccccc1 |r,c:11| Show InChI InChI=1S/C15H11N3O2/c1-17-11-7-3-4-8-12(11)18(15(17)19)14-16-10-6-2-5-9-13(10)20-14/h2-9H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	9.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Radiopharmaceutical Cancer Research Curated by ChEMBL					Assay Description Displacement of (-)-[3H]pentazocine from sigma1 receptor in Sprague-Dawley rat cortical membranes incubated for 2 hrs by liquid scintillation countin...				Eur J Med Chem 100: 50-67 (2015) Article DOI: 10.1016/j.ejmech.2015.05.033 BindingDB Entry DOI: 10.7270/Q28C9XZ1
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50095068 (CHEMBL3589872) Show SMILES CCN(CCCc1ccccc1)[C@@H]1C[C@@H](CC[C@H]1O)OCc1ccc(F)cc1 |r| Show InChI InChI=1S/C14H12FN3O2/c15-8-4-3-6-10-12(8)20-14(17-10)18-11-7-2-1-5-9(11)16-13(18)19/h3-4,6H,1-2,5,7H2,(H,16,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Radiopharmaceutical Cancer Research Curated by ChEMBL					Assay Description Displacement of (-)-[3H]pentazocine from sigma1 receptor in Sprague-Dawley rat cortical membranes incubated for 2 hrs by liquid scintillation countin...				Eur J Med Chem 100: 50-67 (2015) Article DOI: 10.1016/j.ejmech.2015.05.033 BindingDB Entry DOI: 10.7270/Q28C9XZ1
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Rattus norvegicus)	BDBM50095014 (CHEMBL3589728) Show SMILES O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(O)(CC1)c1ccccc1 |r| Show InChI InChI=1S/C21H25NO2/c23-20-15-17-7-5-4-6-16(17)14-19(20)22-12-10-21(24,11-13-22)18-8-2-1-3-9-18/h1-9,19-20,23-24H,10-15H2/t19-,20-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Radiopharmaceutical Cancer Research Curated by ChEMBL					Assay Description Displacement of (-)-[3H]vesamicol from rat VAChT expressed in PC12 cell membranes incubated for 2 hrs by liquid scintillation counting based competit...				Eur J Med Chem 100: 50-67 (2015) Article DOI: 10.1016/j.ejmech.2015.05.033 BindingDB Entry DOI: 10.7270/Q28C9XZ1
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50095057 (CHEMBL3589714) Show SMILES O[C@@H]1C[C@H](CC[C@H]1N1CCC(=CC1)c1ccccc1)OCc1ccc(F)cc1 |r,c:11| Show InChI InChI=1S/C14H7F2N3O2/c15-7-4-5-9-11(6-7)19(13(20)17-9)14-18-10-3-1-2-8(16)12(10)21-14/h1-6H,(H,17,20)	PDB 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
Institute of Radiopharmaceutical Cancer Research Curated by ChEMBL					Assay Description Displacement of (-)-[3H]pentazocine from sigma1 receptor in Sprague-Dawley rat cortical membranes incubated for 2 hrs by liquid scintillation countin...				Eur J Med Chem 100: 50-67 (2015) Article DOI: 10.1016/j.ejmech.2015.05.033 BindingDB Entry DOI: 10.7270/Q28C9XZ1
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50095059 (CHEMBL3589712) Show SMILES O[C@@H]1C[C@H](CC[C@H]1N1CCC(CC1)c1ccccc1)OCc1ccc(F)cc1 |r| Show InChI InChI=1S/C24H30FNO2/c25-21-8-6-18(7-9-21)17-28-22-10-11-23(24(27)16-22)26-14-12-20(13-15-26)19-4-2-1-3-5-19/h1-9,20,22-24,27H,10-17H2/t22-,23+,24+/m0/s1	PDB 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
Institute of Radiopharmaceutical Cancer Research Curated by ChEMBL					Assay Description Displacement of (-)-[3H]pentazocine from sigma1 receptor in Sprague-Dawley rat cortical membranes incubated for 2 hrs by liquid scintillation countin...				Eur J Med Chem 100: 50-67 (2015) Article DOI: 10.1016/j.ejmech.2015.05.033 BindingDB Entry DOI: 10.7270/Q28C9XZ1
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50095071 (CHEMBL3589869) Show SMILES O[C@@H]1CC[C@H](C[C@H]1N1CCC(CC1)c1ccccc1)OCc1ccc(F)cc1 |r| Show InChI InChI=1S/C24H30FNO2/c25-21-8-6-18(7-9-21)17-28-22-10-11-24(27)23(16-22)26-14-12-20(13-15-26)19-4-2-1-3-5-19/h1-9,20,22-24,27H,10-17H2/t22-,23-,24-/m1/s1	PDB 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
Institute of Radiopharmaceutical Cancer Research Curated by ChEMBL					Assay Description Displacement of (-)-[3H]pentazocine from sigma1 receptor in Sprague-Dawley rat cortical membranes incubated for 2 hrs by liquid scintillation countin...				Eur J Med Chem 100: 50-67 (2015) Article DOI: 10.1016/j.ejmech.2015.05.033 BindingDB Entry DOI: 10.7270/Q28C9XZ1
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Rattus norvegicus)	BDBM50095010 (CHEMBL264437) Show SMILES O[C@@H]1CC=CC[C@H]1N1CCC(CC1)c1ccccc1 |c:3| Show InChI InChI=1S/C17H23NO/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14/h1-7,15-17,19H,8-13H2/t16-,17-/m1/s1	KEGG UniProtKB/SwissProt 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
Institute of Radiopharmaceutical Cancer Research Curated by ChEMBL					Assay Description Displacement of (-)-[3H]vesamicol from rat VAChT expressed in PC12 cell membranes incubated for 2 hrs by liquid scintillation counting based competit...				Eur J Med Chem 100: 50-67 (2015) Article DOI: 10.1016/j.ejmech.2015.05.033 BindingDB Entry DOI: 10.7270/Q28C9XZ1
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Rattus norvegicus)	BDBM50095011 (CHEMBL3589731) Show SMILES O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)c1ccncc1 |r| Show InChI InChI=1S/C20H24N2O/c23-20-14-18-4-2-1-3-17(18)13-19(20)22-11-7-16(8-12-22)15-5-9-21-10-6-15/h1-6,9-10,16,19-20,23H,7-8,11-14H2/t19-,20-/m1/s1	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
Institute of Radiopharmaceutical Cancer Research Curated by ChEMBL					Assay Description Displacement of (-)-[3H]vesamicol from rat VAChT expressed in PC12 cell membranes incubated for 2 hrs by liquid scintillation counting based competit...				Eur J Med Chem 100: 50-67 (2015) Article DOI: 10.1016/j.ejmech.2015.05.033 BindingDB Entry DOI: 10.7270/Q28C9XZ1
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Rattus norvegicus)	BDBM50329773 ((-)-(2R,3R)-5-(2-fluoroethoxy)-3-(4-phenylpiperidi...) Show SMILES O[C@@H]1Cc2cccc(OCCF)c2C[C@H]1N1CCC(CC1)c1ccccc1 |r| Show InChI InChI=1S/C23H28FNO2/c24-11-14-27-23-8-4-7-19-15-22(26)21(16-20(19)23)25-12-9-18(10-13-25)17-5-2-1-3-6-17/h1-8,18,21-22,26H,9-16H2/t21-,22-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Radiopharmaceutical Cancer Research Curated by ChEMBL					Assay Description Displacement of (-)-[3H]vesamicol from rat VAChT expressed in PC12 cell membranes incubated for 2 hrs by liquid scintillation counting based competit...				Eur J Med Chem 100: 50-67 (2015) Article DOI: 10.1016/j.ejmech.2015.05.033 BindingDB Entry DOI: 10.7270/Q28C9XZ1
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50018094 ((1R,2R)-2-(4-Phenyl-piperidin-1-yl)-cyclohexanol |...) Show SMILES O[C@@H]1CCCC[C@H]1N1CCC(CC1)c1ccccc1 |r| Show InChI InChI=1S/C17H25NO/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14/h1-3,6-7,15-17,19H,4-5,8-13H2/t16-,17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Radiopharmaceutical Cancer Research Curated by ChEMBL					Assay Description Displacement of (-)-[3H]pentazocine from sigma1 receptor in Sprague-Dawley rat cortical membranes incubated for 2 hrs by liquid scintillation countin...				Eur J Med Chem 100: 50-67 (2015) Article DOI: 10.1016/j.ejmech.2015.05.033 BindingDB Entry DOI: 10.7270/Q28C9XZ1
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50095056 (CHEMBL3589715) Show SMILES CCN(CCCc1ccccc1)[C@@H]1CC[C@@H](C[C@H]1O)OCc1ccc(F)cc1 |r| Show InChI InChI=1S/C24H32FNO2/c1-2-26(16-6-9-19-7-4-3-5-8-19)23-15-14-22(17-24(23)27)28-18-20-10-12-21(25)13-11-20/h3-5,7-8,10-13,22-24,27H,2,6,9,14-18H2,1H3/t22-,23+,24+/m0/s1	PDB UniProtKB/SwissProt 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
Institute of Radiopharmaceutical Cancer Research Curated by ChEMBL					Assay Description Displacement of (-)-[3H]pentazocine from sigma1 receptor in Sprague-Dawley rat cortical membranes incubated for 2 hrs by liquid scintillation countin...				Eur J Med Chem 100: 50-67 (2015) Article DOI: 10.1016/j.ejmech.2015.05.033 BindingDB Entry DOI: 10.7270/Q28C9XZ1
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50095075 (CHEMBL3589865) Show SMILES O[C@@H]1CCCC[C@H]1N1CCC(Cc2ccccc2)CC1 |r| Show InChI InChI=1S/C15H11N3O3/c1-20-9-6-7-11-13(8-9)21-15(17-11)18-12-5-3-2-4-10(12)16-14(18)19/h2-8H,1H3,(H,16,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Radiopharmaceutical Cancer Research Curated by ChEMBL					Assay Description Displacement of (-)-[3H]pentazocine from sigma1 receptor in Sprague-Dawley rat cortical membranes incubated for 2 hrs by liquid scintillation countin...				Eur J Med Chem 100: 50-67 (2015) Article DOI: 10.1016/j.ejmech.2015.05.033 BindingDB Entry DOI: 10.7270/Q28C9XZ1
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50095077 (CHEMBL3589863) Show SMILES CC(=O)C1(CCN(CC1)[C@@H]1CCCC[C@H]1O)c1ccccc1 |r| Show InChI InChI=1S/C14H13N3O2/c18-13-15-9-5-1-3-7-11(9)17(13)14-16-10-6-2-4-8-12(10)19-14/h2,4,6,8H,1,3,5,7H2,(H,15,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Radiopharmaceutical Cancer Research Curated by ChEMBL					Assay Description Displacement of (-)-[3H]pentazocine from sigma1 receptor in Sprague-Dawley rat cortical membranes incubated for 2 hrs by liquid scintillation countin...				Eur J Med Chem 100: 50-67 (2015) Article DOI: 10.1016/j.ejmech.2015.05.033 BindingDB Entry DOI: 10.7270/Q28C9XZ1
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Rattus norvegicus)	BDBM50039613 ((2R,3R)-3-(4-Phenyl-piperidin-1-yl)-1,2,3,4-tetrah...) Show SMILES O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)c1ccccc1 |r| Show InChI InChI=1S/C21H25NO/c23-21-15-19-9-5-4-8-18(19)14-20(21)22-12-10-17(11-13-22)16-6-2-1-3-7-16/h1-9,17,20-21,23H,10-15H2/t20-,21-/m1/s1	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
Institute of Radiopharmaceutical Cancer Research Curated by ChEMBL					Assay Description Displacement of (-)-[3H]vesamicol from VAChT in Sprague-Dawley rat brain membranes incubated for 2 hrs by liquid scintillation counting based competi...				Eur J Med Chem 100: 50-67 (2015) Article DOI: 10.1016/j.ejmech.2015.05.033 BindingDB Entry DOI: 10.7270/Q28C9XZ1
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50095023 (CHEMBL3589720) Show SMILES O[C@@H]1C[C@H](CC[C@H]1N1CCc2ccccc2C1)OCc1ccc(F)cc1 |r| Show InChI InChI=1S/C22H26FNO2/c23-19-7-5-16(6-8-19)15-26-20-9-10-21(22(25)13-20)24-12-11-17-3-1-2-4-18(17)14-24/h1-8,20-22,25H,9-15H2/t20-,21+,22+/m0/s1	PDB 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
Institute of Radiopharmaceutical Cancer Research Curated by ChEMBL					Assay Description Displacement of (-)-[3H]pentazocine from sigma1 receptor in Sprague-Dawley rat cortical membranes incubated for 2 hrs by liquid scintillation countin...				Eur J Med Chem 100: 50-67 (2015) Article DOI: 10.1016/j.ejmech.2015.05.033 BindingDB Entry DOI: 10.7270/Q28C9XZ1
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Rattus norvegicus)	BDBM50095013 (CHEMBL3589729) Show SMILES O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(Cc2ccccc2)CC1 |r| Show InChI InChI=1S/C22H27NO/c24-22-16-20-9-5-4-8-19(20)15-21(22)23-12-10-18(11-13-23)14-17-6-2-1-3-7-17/h1-9,18,21-22,24H,10-16H2/t21-,22-/m1/s1	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
Institute of Radiopharmaceutical Cancer Research Curated by ChEMBL					Assay Description Displacement of (-)-[3H]vesamicol from rat VAChT expressed in PC12 cell membranes incubated for 2 hrs by liquid scintillation counting based competit...				Eur J Med Chem 100: 50-67 (2015) Article DOI: 10.1016/j.ejmech.2015.05.033 BindingDB Entry DOI: 10.7270/Q28C9XZ1
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Rattus norvegicus)	BDBM50292907 ((+)-trans-(4-fluorophenyl)(1-(3-hydroxy-1,2,3,4-te...) Show SMILES O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)C(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C22H24FNO2/c23-19-7-5-15(6-8-19)22(26)16-9-11-24(12-10-16)20-13-17-3-1-2-4-18(17)14-21(20)25/h1-8,16,20-21,25H,9-14H2/t20-,21-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Radiopharmaceutical Cancer Research Curated by ChEMBL					Assay Description Displacement of (-)-[3H]vesamicol from rat VAChT expressed in PC12 cell membranes incubated for 2 hrs by liquid scintillation counting based competit...				Eur J Med Chem 100: 50-67 (2015) Article DOI: 10.1016/j.ejmech.2015.05.033 BindingDB Entry DOI: 10.7270/Q28C9XZ1
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50095015 (CHEMBL3589727) Show SMILES O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(=CC1)c1ccccc1 |r,c:16| Show InChI InChI=1S/C21H23NO/c23-21-15-19-9-5-4-8-18(19)14-20(21)22-12-10-17(11-13-22)16-6-2-1-3-7-16/h1-10,20-21,23H,11-15H2/t20-,21-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Radiopharmaceutical Cancer Research Curated by ChEMBL					Assay Description Displacement of (-)-[3H]pentazocine from sigma1 receptor in Sprague-Dawley rat cortical membranes incubated for 2 hrs by liquid scintillation countin...				Eur J Med Chem 100: 50-67 (2015) Article DOI: 10.1016/j.ejmech.2015.05.033 BindingDB Entry DOI: 10.7270/Q28C9XZ1
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Rattus norvegicus)	BDBM50039623 ((2R,3R)-5-Amino-3-(4-phenyl-piperidin-1-yl)-1,2,3,...) Show SMILES Nc1cccc2C[C@@H](O)[C@@H](Cc12)N1CCC(CC1)c1ccccc1 Show InChI InChI=1S/C21H26N2O/c22-19-8-4-7-17-13-21(24)20(14-18(17)19)23-11-9-16(10-12-23)15-5-2-1-3-6-15/h1-8,16,20-21,24H,9-14,22H2/t20-,21-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Radiopharmaceutical Cancer Research Curated by ChEMBL					Assay Description Displacement of (-)-[3H]vesamicol from rat VAChT expressed in PC12 cell membranes incubated for 2 hrs by liquid scintillation counting based competit...				Eur J Med Chem 100: 50-67 (2015) Article DOI: 10.1016/j.ejmech.2015.05.033 BindingDB Entry DOI: 10.7270/Q28C9XZ1
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50095064 (CHEMBL3589876) Show SMILES O[C@@H]1CC[C@H](C[C@H]1N1CCC(Cc2ccccc2)CC1)OCc1ccc(F)cc1 |r| Show InChI InChI=1S/C25H32FNO2/c26-22-8-6-21(7-9-22)18-29-23-10-11-25(28)24(17-23)27-14-12-20(13-15-27)16-19-4-2-1-3-5-19/h1-9,20,23-25,28H,10-18H2/t23-,24-,25-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Radiopharmaceutical Cancer Research Curated by ChEMBL					Assay Description Displacement of (-)-[3H]pentazocine from sigma1 receptor in Sprague-Dawley rat cortical membranes incubated for 2 hrs by liquid scintillation countin...				Eur J Med Chem 100: 50-67 (2015) Article DOI: 10.1016/j.ejmech.2015.05.033 BindingDB Entry DOI: 10.7270/Q28C9XZ1
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Rattus norvegicus)	BDBM50095071 (CHEMBL3589869) Show SMILES O[C@@H]1CC[C@H](C[C@H]1N1CCC(CC1)c1ccccc1)OCc1ccc(F)cc1 |r| Show InChI InChI=1S/C24H30FNO2/c25-21-8-6-18(7-9-21)17-28-22-10-11-24(27)23(16-22)26-14-12-20(13-15-26)19-4-2-1-3-5-19/h1-9,20,22-24,27H,10-17H2/t22-,23-,24-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Radiopharmaceutical Cancer Research Curated by ChEMBL					Assay Description Displacement of (-)-[3H]vesamicol from rat VAChT expressed in PC12 cell membranes incubated for 2 hrs by liquid scintillation counting based competit...				Eur J Med Chem 100: 50-67 (2015) Article DOI: 10.1016/j.ejmech.2015.05.033 BindingDB Entry DOI: 10.7270/Q28C9XZ1
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50095060 (CHEMBL3589711) Show SMILES O[C@@H]1CC[C@H](C[C@H]1N1CCC(CC1)c1ccncc1)OCc1ccc(F)cc1 |r| Show InChI InChI=1S/C23H29FN2O2/c24-20-3-1-17(2-4-20)16-28-21-5-6-23(27)22(15-21)26-13-9-19(10-14-26)18-7-11-25-12-8-18/h1-4,7-8,11-12,19,21-23,27H,5-6,9-10,13-16H2/t21-,22-,23-/m1/s1	PDB UniProtKB/SwissProt 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
Institute of Radiopharmaceutical Cancer Research Curated by ChEMBL					Assay Description Displacement of (-)-[3H]pentazocine from sigma1 receptor in Sprague-Dawley rat cortical membranes incubated for 2 hrs by liquid scintillation countin...				Eur J Med Chem 100: 50-67 (2015) Article DOI: 10.1016/j.ejmech.2015.05.033 BindingDB Entry DOI: 10.7270/Q28C9XZ1
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50095019 (CHEMBL3589724) Show SMILES O[C@@H]1CC[C@H](C[C@H]1N1CCC(CC1)c1ccccc1)OCCCF |r| Show InChI InChI=1S/C20H30FNO2/c21-11-4-14-24-18-7-8-20(23)19(15-18)22-12-9-17(10-13-22)16-5-2-1-3-6-16/h1-3,5-6,17-20,23H,4,7-15H2/t18-,19-,20-/m1/s1	PDB UniProtKB/SwissProt 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
Institute of Radiopharmaceutical Cancer Research Curated by ChEMBL					Assay Description Displacement of (-)-[3H]pentazocine from sigma1 receptor in Sprague-Dawley rat cortical membranes incubated for 2 hrs by liquid scintillation countin...				Eur J Med Chem 100: 50-67 (2015) Article DOI: 10.1016/j.ejmech.2015.05.033 BindingDB Entry DOI: 10.7270/Q28C9XZ1
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50039613 ((2R,3R)-3-(4-Phenyl-piperidin-1-yl)-1,2,3,4-tetrah...) Show SMILES O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)c1ccccc1 |r| Show InChI InChI=1S/C21H25NO/c23-21-15-19-9-5-4-8-18(19)14-20(21)22-12-10-17(11-13-22)16-6-2-1-3-7-16/h1-9,17,20-21,23H,10-15H2/t20-,21-/m1/s1	PDB UniProtKB/SwissProt 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
Institute of Radiopharmaceutical Cancer Research Curated by ChEMBL					Assay Description Displacement of (-)-[3H]pentazocine from sigma1 receptor in Sprague-Dawley rat cortical membranes incubated for 2 hrs by liquid scintillation countin...				Eur J Med Chem 100: 50-67 (2015) Article DOI: 10.1016/j.ejmech.2015.05.033 BindingDB Entry DOI: 10.7270/Q28C9XZ1
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50095069 (CHEMBL3589871) Show SMILES O[C@@H]1CC[C@H](C[C@H]1N1CCC(=CC1)c1ccccc1)OCc1ccc(F)cc1 |r,c:11| Show InChI InChI=1S/C14H8FN3O2/c15-8-5-6-10-12(7-8)20-14(17-10)18-11-4-2-1-3-9(11)16-13(18)19/h1-7H,(H,16,19)	PDB UniProtKB/SwissProt 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
Institute of Radiopharmaceutical Cancer Research Curated by ChEMBL					Assay Description Displacement of (-)-[3H]pentazocine from sigma1 receptor in Sprague-Dawley rat cortical membranes incubated for 2 hrs by liquid scintillation countin...				Eur J Med Chem 100: 50-67 (2015) Article DOI: 10.1016/j.ejmech.2015.05.033 BindingDB Entry DOI: 10.7270/Q28C9XZ1
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50095052 (CHEMBL3589716) Show SMILES O[C@@H]1C[C@H](CC[C@H]1N1CCC(O)(CC1)c1ccccc1)OCc1ccc(F)cc1 |r| Show InChI InChI=1S/C24H30FNO3/c25-20-8-6-18(7-9-20)17-29-21-10-11-22(23(27)16-21)26-14-12-24(28,13-15-26)19-4-2-1-3-5-19/h1-9,21-23,27-28H,10-17H2/t21-,22+,23+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Radiopharmaceutical Cancer Research Curated by ChEMBL					Assay Description Displacement of (-)-[3H]pentazocine from sigma1 receptor in Sprague-Dawley rat cortical membranes incubated for 2 hrs by liquid scintillation countin...				Eur J Med Chem 100: 50-67 (2015) Article DOI: 10.1016/j.ejmech.2015.05.033 BindingDB Entry DOI: 10.7270/Q28C9XZ1
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50095020 (CHEMBL3589723) Show SMILES O[C@@H]1C[C@H](CC[C@H]1N1CCC(CC1)c1ccncc1)OCc1ccc(F)cc1 |r| Show InChI InChI=1S/C23H29FN2O2/c24-20-3-1-17(2-4-20)16-28-21-5-6-22(23(27)15-21)26-13-9-19(10-14-26)18-7-11-25-12-8-18/h1-4,7-8,11-12,19,21-23,27H,5-6,9-10,13-16H2/t21-,22+,23+/m0/s1	PDB 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
Institute of Radiopharmaceutical Cancer Research Curated by ChEMBL					Assay Description Displacement of (-)-[3H]pentazocine from sigma1 receptor in Sprague-Dawley rat cortical membranes incubated for 2 hrs by liquid scintillation countin...				Eur J Med Chem 100: 50-67 (2015) Article DOI: 10.1016/j.ejmech.2015.05.033 BindingDB Entry DOI: 10.7270/Q28C9XZ1
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50095076 (CHEMBL3589864) Show SMILES O[C@@H]1CCCC[C@H]1N1CCC(CC1)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C15H15N3O3/c1-20-9-6-7-13-11(8-9)17-15(21-13)18-12-5-3-2-4-10(12)16-14(18)19/h6-8H,2-5H2,1H3,(H,16,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Radiopharmaceutical Cancer Research Curated by ChEMBL					Assay Description Displacement of (-)-[3H]pentazocine from sigma1 receptor in Sprague-Dawley rat cortical membranes incubated for 2 hrs by liquid scintillation countin...				Eur J Med Chem 100: 50-67 (2015) Article DOI: 10.1016/j.ejmech.2015.05.033 BindingDB Entry DOI: 10.7270/Q28C9XZ1
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50095067 (CHEMBL3589873) Show SMILES O[C@@H]1CC[C@H](C[C@H]1N1CCC(O)(CC1)c1ccccc1)OCc1ccc(F)cc1 |r| Show InChI InChI=1S/C24H30FNO3/c25-20-8-6-18(7-9-20)17-29-21-10-11-23(27)22(16-21)26-14-12-24(28,13-15-26)19-4-2-1-3-5-19/h1-9,21-23,27-28H,10-17H2/t21-,22-,23-/m1/s1	PDB UniProtKB/SwissProt 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
Institute of Radiopharmaceutical Cancer Research Curated by ChEMBL					Assay Description Displacement of (-)-[3H]pentazocine from sigma1 receptor in Sprague-Dawley rat cortical membranes incubated for 2 hrs by liquid scintillation countin...				Eur J Med Chem 100: 50-67 (2015) Article DOI: 10.1016/j.ejmech.2015.05.033 BindingDB Entry DOI: 10.7270/Q28C9XZ1
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Rattus norvegicus)	BDBM50018094 ((1R,2R)-2-(4-Phenyl-piperidin-1-yl)-cyclohexanol |...) Show SMILES O[C@@H]1CCCC[C@H]1N1CCC(CC1)c1ccccc1 |r| Show InChI InChI=1S/C17H25NO/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14/h1-3,6-7,15-17,19H,4-5,8-13H2/t16-,17-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE 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
Institute of Radiopharmaceutical Cancer Research Curated by ChEMBL					Assay Description Displacement of (-)-[3H]vesamicol from rat VAChT expressed in PC12 cell membranes incubated for 2 hrs by liquid scintillation counting based competit...				Eur J Med Chem 100: 50-67 (2015) Article DOI: 10.1016/j.ejmech.2015.05.033 BindingDB Entry DOI: 10.7270/Q28C9XZ1
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Rattus norvegicus)	BDBM50095019 (CHEMBL3589724) Show SMILES O[C@@H]1CC[C@H](C[C@H]1N1CCC(CC1)c1ccccc1)OCCCF |r| Show InChI InChI=1S/C20H30FNO2/c21-11-4-14-24-18-7-8-20(23)19(15-18)22-12-9-17(10-13-22)16-5-2-1-3-6-16/h1-3,5-6,17-20,23H,4,7-15H2/t18-,19-,20-/m1/s1	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
Institute of Radiopharmaceutical Cancer Research Curated by ChEMBL					Assay Description Displacement of (-)-[3H]vesamicol from rat VAChT expressed in PC12 cell membranes incubated for 2 hrs by liquid scintillation counting based competit...				Eur J Med Chem 100: 50-67 (2015) Article DOI: 10.1016/j.ejmech.2015.05.033 BindingDB Entry DOI: 10.7270/Q28C9XZ1
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50095074 (CHEMBL3589866) Show SMILES O[C@@H]1CCCC[C@H]1N1CCc2ccccc2C1 |r| Show InChI InChI=1S/C14H8FN3O2/c15-8-5-6-11-10(7-8)16-13(19)18(11)14-17-9-3-1-2-4-12(9)20-14/h1-7H,(H,16,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Radiopharmaceutical Cancer Research Curated by ChEMBL					Assay Description Displacement of (-)-[3H]pentazocine from sigma1 receptor in Sprague-Dawley rat cortical membranes incubated for 2 hrs by liquid scintillation countin...				Eur J Med Chem 100: 50-67 (2015) Article DOI: 10.1016/j.ejmech.2015.05.033 BindingDB Entry DOI: 10.7270/Q28C9XZ1
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50095017 (CHEMBL3589732) Show SMILES Nc1cccc2C[C@H]([C@H](O)Cc12)N1CCC(CC1)c1ccccc1 |r| Show InChI InChI=1S/C21H26N2O/c22-19-8-4-7-17-13-20(21(24)14-18(17)19)23-11-9-16(10-12-23)15-5-2-1-3-6-15/h1-8,16,20-21,24H,9-14,22H2/t20-,21-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Radiopharmaceutical Cancer Research Curated by ChEMBL					Assay Description Displacement of (-)-[3H]pentazocine from sigma1 receptor in Sprague-Dawley rat cortical membranes incubated for 2 hrs by liquid scintillation countin...				Eur J Med Chem 100: 50-67 (2015) Article DOI: 10.1016/j.ejmech.2015.05.033 BindingDB Entry DOI: 10.7270/Q28C9XZ1
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Rattus norvegicus)	BDBM50095016 (CHEMBL3589726) Show SMILES O[C@@H]1Cc2ccccc2C[C@H]1N1CCN(CC1)c1ccccc1 |r| Show InChI InChI=1S/C20H24N2O/c23-20-15-17-7-5-4-6-16(17)14-19(20)22-12-10-21(11-13-22)18-8-2-1-3-9-18/h1-9,19-20,23H,10-15H2/t19-,20-/m1/s1	KEGG UniProtKB/SwissProt 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
Institute of Radiopharmaceutical Cancer Research Curated by ChEMBL					Assay Description Displacement of (-)-[3H]vesamicol from rat VAChT expressed in PC12 cell membranes incubated for 2 hrs by liquid scintillation counting based competit...				Eur J Med Chem 100: 50-67 (2015) Article DOI: 10.1016/j.ejmech.2015.05.033 BindingDB Entry DOI: 10.7270/Q28C9XZ1
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50095061 (CHEMBL3589879) Show SMILES O[C@@H]1CC[C@H](C[C@H]1N1CCC(CC1)C(=O)c1ccc(F)cc1)OCc1ccc(F)cc1 |r| Show InChI InChI=1S/C14H7F2N3O2/c15-7-4-5-11-10(6-7)17-13(20)19(11)14-18-9-3-1-2-8(16)12(9)21-14/h1-6H,(H,17,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Radiopharmaceutical Cancer Research Curated by ChEMBL					Assay Description Displacement of (-)-[3H]pentazocine from sigma1 receptor in Sprague-Dawley rat cortical membranes incubated for 2 hrs by liquid scintillation countin...				Eur J Med Chem 100: 50-67 (2015) Article DOI: 10.1016/j.ejmech.2015.05.033 BindingDB Entry DOI: 10.7270/Q28C9XZ1
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50095063 (CHEMBL3589877) Show SMILES O[C@@H]1CC[C@H](C[C@H]1N1CCc2ccccc2C1)OCc1ccc(F)cc1 |r| Show InChI InChI=1S/C22H26FNO2/c23-19-7-5-16(6-8-19)15-26-20-9-10-22(25)21(13-20)24-12-11-17-3-1-2-4-18(17)14-24/h1-8,20-22,25H,9-15H2/t20-,21-,22-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Radiopharmaceutical Cancer Research Curated by ChEMBL					Assay Description Displacement of (-)-[3H]pentazocine from sigma1 receptor in Sprague-Dawley rat cortical membranes incubated for 2 hrs by liquid scintillation countin...				Eur J Med Chem 100: 50-67 (2015) Article DOI: 10.1016/j.ejmech.2015.05.033 BindingDB Entry DOI: 10.7270/Q28C9XZ1
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Rattus norvegicus)	BDBM50095018 (CHEMBL3589725) Show SMILES O[C@@H]1C[C@H](CC[C@H]1N1CCC(CC1)c1ccccc1)OCCCF |r| Show InChI InChI=1S/C20H30FNO2/c21-11-4-14-24-18-7-8-19(20(23)15-18)22-12-9-17(10-13-22)16-5-2-1-3-6-16/h1-3,5-6,17-20,23H,4,7-15H2/t18-,19+,20+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Radiopharmaceutical Cancer Research Curated by ChEMBL					Assay Description Displacement of (-)-[3H]vesamicol from rat VAChT expressed in PC12 cell membranes incubated for 2 hrs by liquid scintillation counting based competit...				Eur J Med Chem 100: 50-67 (2015) Article DOI: 10.1016/j.ejmech.2015.05.033 BindingDB Entry DOI: 10.7270/Q28C9XZ1
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50378717 (CHEMBL1204031) Show SMILES O[C@@H]1CCCC[C@H]1N1CCC(CC1)C(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C18H24FNO2/c19-15-7-5-13(6-8-15)18(22)14-9-11-20(12-10-14)16-3-1-2-4-17(16)21/h5-8,14,16-17,21H,1-4,9-12H2/t16-,17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Radiopharmaceutical Cancer Research Curated by ChEMBL					Assay Description Displacement of (-)-[3H]pentazocine from sigma1 receptor in Sprague-Dawley rat cortical membranes incubated for 2 hrs by liquid scintillation countin...				Eur J Med Chem 100: 50-67 (2015) Article DOI: 10.1016/j.ejmech.2015.05.033 BindingDB Entry DOI: 10.7270/Q28C9XZ1
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50095066 (CHEMBL3589874) Show SMILES CC(=O)C1(CCN(CC1)[C@@H]1C[C@@H](CC[C@H]1O)OCc1ccc(F)cc1)c1ccccc1 |r| Show InChI InChI=1S/C15H11N3O2/c1-9-6-7-11-13(8-9)20-15(17-11)18-12-5-3-2-4-10(12)16-14(18)19/h2-8H,1H3,(H,16,19)	PDB 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
Institute of Radiopharmaceutical Cancer Research Curated by ChEMBL					Assay Description Displacement of (-)-[3H]pentazocine from sigma1 receptor in Sprague-Dawley rat cortical membranes incubated for 2 hrs by liquid scintillation countin...				Eur J Med Chem 100: 50-67 (2015) Article DOI: 10.1016/j.ejmech.2015.05.033 BindingDB Entry DOI: 10.7270/Q28C9XZ1
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50095021 (CHEMBL3589722) Show SMILES O[C@@H]1C[C@H](CC[C@H]1N1CCC(CC1)C(=O)c1ccc(F)cc1)OCc1ccc(F)cc1 |r| Show InChI InChI=1S/C25H29F2NO3/c26-20-5-1-17(2-6-20)16-31-22-9-10-23(24(29)15-22)28-13-11-19(12-14-28)25(30)18-3-7-21(27)8-4-18/h1-8,19,22-24,29H,9-16H2/t22-,23+,24+/m0/s1	PDB 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
Institute of Radiopharmaceutical Cancer Research Curated by ChEMBL					Assay Description Displacement of (-)-[3H]pentazocine from sigma1 receptor in Sprague-Dawley rat cortical membranes incubated for 2 hrs by liquid scintillation countin...				Eur J Med Chem 100: 50-67 (2015) Article DOI: 10.1016/j.ejmech.2015.05.033 BindingDB Entry DOI: 10.7270/Q28C9XZ1
					More data for this Ligand-Target Pair

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