Compile Data Set for Download or QSAR

Found 81 hits Enz. Inhib. hit(s) with all data for entry = 50007323   

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 (Homo sapiens (Human))	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 antibodypedia 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
University of Minnesota Curated by ChEMBL					Assay Description Binding to vesicular acetylcholine transporter of torpedo synaptic vesicles				J Med Chem 40: 3905-14 (1998) Article DOI: 10.1021/jm970326r BindingDB Entry DOI: 10.7270/Q2KK99WJ
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Homo sapiens (Human))	BDBM50039604 ((+)-1''-(3-Iodo-benzyl)-4-phenyl-[1,3'']bipiperidi...) Show SMILES O[C@@H]1CCN(Cc2cccc(I)c2)C[C@H]1N1CCC(CC1)c1ccccc1 Show InChI InChI=1S/C23H29IN2O/c24-21-8-4-5-18(15-21)16-25-12-11-23(27)22(17-25)26-13-9-20(10-14-26)19-6-2-1-3-7-19/h1-8,15,20,22-23,27H,9-14,16-17H2/t22-,23-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding to vesicular acetylcholine transporter of torpedo synaptic vesicles				J Med Chem 40: 3905-14 (1998) Article DOI: 10.1021/jm970326r BindingDB Entry DOI: 10.7270/Q2KK99WJ
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Homo sapiens (Human))	BDBM50039621 (3-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyrid...) Show SMILES O[C@@H]1Cc2ccccc2C[C@H]1N1CCC2(CCc3ccccc23)CC1 Show InChI InChI=1S/C23H27NO/c25-22-16-19-7-2-1-6-18(19)15-21(22)24-13-11-23(12-14-24)10-9-17-5-3-4-8-20(17)23/h1-8,21-22,25H,9-16H2/t21-,22-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding to vesicular acetylcholine transporter of torpedo synaptic vesicles				J Med Chem 40: 3905-14 (1998) Article DOI: 10.1021/jm970326r BindingDB Entry DOI: 10.7270/Q2KK99WJ
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Homo sapiens (Human))	BDBM50039617 (1-(4-fluorobenzyl)-3-spiro[2,3-dihydro-1H-indene-1...) Show SMILES O[C@@H]1CCN(Cc2ccc(F)cc2)C[C@H]1N1CCC2(CCc3ccccc23)CC1 Show InChI InChI=1S/C25H31FN2O/c26-21-7-5-19(6-8-21)17-27-14-10-24(29)23(18-27)28-15-12-25(13-16-28)11-9-20-3-1-2-4-22(20)25/h1-8,23-24,29H,9-18H2/t23-,24-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding to vesicular acetylcholine transporter of torpedo synaptic vesicles				J Med Chem 40: 3905-14 (1998) Article DOI: 10.1021/jm970326r BindingDB Entry DOI: 10.7270/Q2KK99WJ
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Homo sapiens (Human))	BDBM50046952 ((3'R,4'R)-1'-(4-Fluoro-benzyl)-4-phenyl-[1,3']bipi...) Show SMILES O[C@@H]1CCN(Cc2ccc(F)cc2)C[C@H]1N1CCC(CC1)c1ccccc1 |r| Show InChI InChI=1S/C23H29FN2O/c24-21-8-6-18(7-9-21)16-25-13-12-23(27)22(17-25)26-14-10-20(11-15-26)19-4-2-1-3-5-19/h1-9,20,22-23,27H,10-17H2/t22-,23-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding to vesicular acetylcholine transporter of torpedo synaptic vesicles				J Med Chem 40: 3905-14 (1998) Article DOI: 10.1021/jm970326r BindingDB Entry DOI: 10.7270/Q2KK99WJ
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Homo sapiens (Human))	BDBM50039609 (1-(3-iodobenzyl)-3-spiro[2,3-dihydro-1H-indene-1,4...) Show SMILES O[C@@H]1CCN(Cc2cccc(I)c2)C[C@H]1N1CCC2(CCc3ccccc23)CC1 Show InChI InChI=1S/C25H31IN2O/c26-21-6-3-4-19(16-21)17-27-13-9-24(29)23(18-27)28-14-11-25(12-15-28)10-8-20-5-1-2-7-22(20)25/h1-7,16,23-24,29H,8-15,17-18H2/t23-,24-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding to vesicular acetylcholine transporter of torpedo synaptic vesicles				J Med Chem 40: 3905-14 (1998) Article DOI: 10.1021/jm970326r BindingDB Entry DOI: 10.7270/Q2KK99WJ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50061247 (1-(4-fluorophenyl)-4-spiro[2,3-dihydro-1H-indene-1...) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CCc3ccccc23)CC1 Show InChI InChI=1S/C23H26FNO/c24-20-9-7-19(8-10-20)22(26)6-3-15-25-16-13-23(14-17-25)12-11-18-4-1-2-5-21(18)23/h1-2,4-5,7-10H,3,6,11-17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Sigma-1 binding assay was done in guinea pig membranes by labelling the binding site with [3H]-(+)-pentazocine				J Med Chem 40: 3905-14 (1998) Article DOI: 10.1021/jm970326r BindingDB Entry DOI: 10.7270/Q2KK99WJ
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Homo sapiens (Human))	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 antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding to vesicular acetylcholine transporter of torpedo synaptic vesicles				J Med Chem 40: 3905-14 (1998) Article DOI: 10.1021/jm970326r BindingDB Entry DOI: 10.7270/Q2KK99WJ
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Homo sapiens (Human))	BDBM50039618 ((1R,2R)-2-(2,3-dihydro-1'H-spiro[indene-1,4'-piper...) Show SMILES O[C@@H]1CCCC[C@H]1N1CCC2(CCc3ccccc23)CC1 Show InChI InChI=1S/C19H27NO/c21-18-8-4-3-7-17(18)20-13-11-19(12-14-20)10-9-15-5-1-2-6-16(15)19/h1-2,5-6,17-18,21H,3-4,7-14H2/t17-,18-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding to vesicular acetylcholine transporter of torpedo synaptic vesicles				J Med Chem 40: 3905-14 (1998) Article DOI: 10.1021/jm970326r BindingDB Entry DOI: 10.7270/Q2KK99WJ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50061261 ((2R)-1-(4-bromophenyl)-3-{2,3-dihydrospiro[indene-...) Show SMILES O[C@@H](CN1CCC2(CCc3ccccc23)CC1)Cc1ccc(Br)cc1 Show InChI InChI=1S/C22H26BrNO/c23-19-7-5-17(6-8-19)15-20(25)16-24-13-11-22(12-14-24)10-9-18-3-1-2-4-21(18)22/h1-8,20,25H,9-16H2/t20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Sigma-1 binding assay was done in guinea pig membranes by labelling the binding site with [3H]-(+)-pentazocine				J Med Chem 40: 3905-14 (1998) Article DOI: 10.1021/jm970326r BindingDB Entry DOI: 10.7270/Q2KK99WJ
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Homo sapiens (Human))	BDBM50061249 ((1S,2S)-2-(3-Phenyl-8-aza-bicyclo[3.2.1]oct-8-yl)-...) Show SMILES O[C@H]1CCCC[C@@H]1N1C2CCC1CC(C2)c1ccccc1 |TLB:6:7:13.14.12:9.10,15:13:7:9.10| Show InChI InChI=1S/C19H27NO/c21-19-9-5-4-8-18(19)20-16-10-11-17(20)13-15(12-16)14-6-2-1-3-7-14/h1-3,6-7,15-19,21H,4-5,8-13H2/t15?,16?,17?,18-,19-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding to vesicular acetylcholine transporter of torpedo synaptic vesicles				J Med Chem 40: 3905-14 (1998) Article DOI: 10.1021/jm970326r BindingDB Entry DOI: 10.7270/Q2KK99WJ
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Homo sapiens (Human))	BDBM50061263 ((2S,3S)-3-(3-Phenyl-8-aza-bicyclo[3.2.1]oct-8-yl)-...) Show SMILES O[C@H]1Cc2ccccc2C[C@@H]1N1C2CCC1CC(C2)c1ccccc1 |TLB:10:11:17.18.16:13.14,19:17:11:13.14| Show InChI InChI=1S/C23H27NO/c25-23-15-18-9-5-4-8-17(18)14-22(23)24-20-10-11-21(24)13-19(12-20)16-6-2-1-3-7-16/h1-9,19-23,25H,10-15H2/t19?,20?,21?,22-,23-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding to vesicular acetylcholine transporter of torpedo synaptic vesicles				J Med Chem 40: 3905-14 (1998) Article DOI: 10.1021/jm970326r BindingDB Entry DOI: 10.7270/Q2KK99WJ
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Homo sapiens (Human))	BDBM50061254 (1-(4-Bromo-phenyl)-3-(3-phenyl-8-aza-bicyclo[3.2.1...) Show SMILES OC(CN1C2CCC1CC(C2)c1ccccc1)Cc1ccc(Br)cc1 |TLB:11:9:3:5.6,THB:2:3:9.8.10:5.6| Show InChI InChI=1S/C22H26BrNO/c23-19-8-6-16(7-9-19)12-22(25)15-24-20-10-11-21(24)14-18(13-20)17-4-2-1-3-5-17/h1-9,18,20-22,25H,10-15H2	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding to vesicular acetylcholine transporter of torpedo synaptic vesicles				J Med Chem 40: 3905-14 (1998) Article DOI: 10.1021/jm970326r BindingDB Entry DOI: 10.7270/Q2KK99WJ
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Homo sapiens (Human))	BDBM50061250 ((3S,4S)-1-(3-Iodo-benzyl)-3-(3-phenyl-8-aza-bicycl...) Show SMILES O[C@H]1CCN(Cc2cccc(I)c2)C[C@@H]1N1C2CCC1CC(C2)c1ccccc1 |TLB:14:15:21.22.20:17.18,23:21:15:17.18| Show InChI InChI=1S/C25H31IN2O/c26-21-8-4-5-18(13-21)16-27-12-11-25(29)24(17-27)28-22-9-10-23(28)15-20(14-22)19-6-2-1-3-7-19/h1-8,13,20,22-25,29H,9-12,14-17H2/t20?,22?,23?,24-,25-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding to vesicular acetylcholine transporter of torpedo synaptic vesicles				J Med Chem 40: 3905-14 (1998) Article DOI: 10.1021/jm970326r BindingDB Entry DOI: 10.7270/Q2KK99WJ
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Homo sapiens (Human))	BDBM50061258 (1-(3-Iodobenzyl)-3-[1-methylspiro[2,3-dihydro-1H-i...) Show SMILES CN1CC2(CCN(CC2)[C@@H]2CN(Cc3cccc(I)c3)CC[C@H]2O)c2ccccc12 Show InChI InChI=1S/C25H32IN3O/c1-27-18-25(21-7-2-3-8-22(21)27)10-13-29(14-11-25)23-17-28(12-9-24(23)30)16-19-5-4-6-20(26)15-19/h2-8,15,23-24,30H,9-14,16-18H2,1H3/t23-,24-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia 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 Minnesota Curated by ChEMBL					Assay Description Binding to vesicular acetylcholine transporter of torpedo synaptic vesicles				J Med Chem 40: 3905-14 (1998) Article DOI: 10.1021/jm970326r BindingDB Entry DOI: 10.7270/Q2KK99WJ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50061256 (1-(4-Bromo-phenyl)-2-(3-phenyl-8-aza-bicyclo[3.2.1...) Show SMILES OC(CN1C2CCC1CC(C2)c1ccccc1)c1ccc(Br)cc1 |TLB:11:9:3:5.6| Show InChI InChI=1S/C21H24BrNO/c22-18-8-6-16(7-9-18)21(24)14-23-19-10-11-20(23)13-17(12-19)15-4-2-1-3-5-15/h1-9,17,19-21,24H,10-14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Sigma-1 binding assay was done in guinea pig membranes by labelling the binding site with [3H]-(+)-pentazocine				J Med Chem 40: 3905-14 (1998) Article DOI: 10.1021/jm970326r BindingDB Entry DOI: 10.7270/Q2KK99WJ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50039618 ((1R,2R)-2-(2,3-dihydro-1'H-spiro[indene-1,4'-piper...) Show SMILES O[C@@H]1CCCC[C@H]1N1CCC2(CCc3ccccc23)CC1 Show InChI InChI=1S/C19H27NO/c21-18-8-4-3-7-17(18)20-13-11-19(12-14-20)10-9-15-5-1-2-6-16(15)19/h1-2,5-6,17-18,21H,3-4,7-14H2/t17-,18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia 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 Minnesota Curated by ChEMBL					Assay Description Sigma-1 binding assay was done in guinea pig membranes by labelling the binding site with [3H]-(+)-pentazocine				J Med Chem 40: 3905-14 (1998) Article DOI: 10.1021/jm970326r BindingDB Entry DOI: 10.7270/Q2KK99WJ
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50061244 (1-(3-Bromo-phenyl)-2-(3-phenyl-8-aza-bicyclo[3.2.1...) Show SMILES OC(CN1C2CCC1CC(C2)c1ccccc1)c1cccc(Br)c1 |TLB:11:9:3:5.6| Show InChI InChI=1S/C21H24BrNO/c22-18-8-4-7-16(11-18)21(24)14-23-19-9-10-20(23)13-17(12-19)15-5-2-1-3-6-15/h1-8,11,17,19-21,24H,9-10,12-14H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding affinity for dopamine transporter was determined in rat striatal membrane.				J Med Chem 40: 3905-14 (1998) Article DOI: 10.1021/jm970326r BindingDB Entry DOI: 10.7270/Q2KK99WJ
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50061251 (1-(3,4-Dichloro-phenyl)-2-(3-phenyl-8-aza-bicyclo[...) Show SMILES OC(CN1C2CCC1CC(C2)c1ccccc1)c1ccc(Cl)c(Cl)c1 |TLB:11:9:3:5.6| Show InChI InChI=1S/C21H23Cl2NO/c22-19-9-6-15(12-20(19)23)21(25)13-24-17-7-8-18(24)11-16(10-17)14-4-2-1-3-5-14/h1-6,9,12,16-18,21,25H,7-8,10-11,13H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding affinity for dopamine transporter was determined in rat striatal membrane.				J Med Chem 40: 3905-14 (1998) Article DOI: 10.1021/jm970326r BindingDB Entry DOI: 10.7270/Q2KK99WJ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50039617 (1-(4-fluorobenzyl)-3-spiro[2,3-dihydro-1H-indene-1...) Show SMILES O[C@@H]1CCN(Cc2ccc(F)cc2)C[C@H]1N1CCC2(CCc3ccccc23)CC1 Show InChI InChI=1S/C25H31FN2O/c26-21-7-5-19(6-8-21)17-27-14-10-24(29)23(18-27)28-15-12-25(13-16-28)11-9-20-3-1-2-4-22(20)25/h1-8,23-24,29H,9-18H2/t23-,24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia 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
University of Minnesota Curated by ChEMBL					Assay Description Sigma-1 binding assay was done in guinea pig membranes by labelling the binding site with [3H]-(+)-pentazocine				J Med Chem 40: 3905-14 (1998) Article DOI: 10.1021/jm970326r BindingDB Entry DOI: 10.7270/Q2KK99WJ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	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 antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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 Minnesota Curated by ChEMBL					Assay Description Sigma-1 binding assay was done in guinea pig membranes by labelling the binding site with [3H]-(+)-pentazocine				J Med Chem 40: 3905-14 (1998) Article DOI: 10.1021/jm970326r BindingDB Entry DOI: 10.7270/Q2KK99WJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50061244 (1-(3-Bromo-phenyl)-2-(3-phenyl-8-aza-bicyclo[3.2.1...) Show SMILES OC(CN1C2CCC1CC(C2)c1ccccc1)c1cccc(Br)c1 |TLB:11:9:3:5.6| Show InChI InChI=1S/C21H24BrNO/c22-18-8-4-7-16(11-18)21(24)14-23-19-9-10-20(23)13-17(12-19)15-5-2-1-3-6-15/h1-8,11,17,19-21,24H,9-10,12-14H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding affinity of the compound for serotonin transporter was determined in rat cortical membrane.				J Med Chem 40: 3905-14 (1998) Article DOI: 10.1021/jm970326r BindingDB Entry DOI: 10.7270/Q2KK99WJ
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Homo sapiens (Human))	BDBM50061264 (1-(4-Bromo-phenyl)-2-(4-phenyl-piperidin-1-yl)-eth...) Show SMILES OC(CN1CCC(CC1)c1ccccc1)c1ccc(Br)cc1 Show InChI InChI=1S/C19H22BrNO/c20-18-8-6-17(7-9-18)19(22)14-21-12-10-16(11-13-21)15-4-2-1-3-5-15/h1-9,16,19,22H,10-14H2	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding to vesicular acetylcholine transporter of torpedo synaptic vesicles				J Med Chem 40: 3905-14 (1998) Article DOI: 10.1021/jm970326r BindingDB Entry DOI: 10.7270/Q2KK99WJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50061256 (1-(4-Bromo-phenyl)-2-(3-phenyl-8-aza-bicyclo[3.2.1...) Show SMILES OC(CN1C2CCC1CC(C2)c1ccccc1)c1ccc(Br)cc1 |TLB:11:9:3:5.6| Show InChI InChI=1S/C21H24BrNO/c22-18-8-6-16(7-9-18)21(24)14-23-19-10-11-20(23)13-17(12-19)15-4-2-1-3-5-15/h1-9,17,19-21,24H,10-14H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding affinity of the compound for serotonin transporter was determined in rat cortical membrane.				J Med Chem 40: 3905-14 (1998) Article DOI: 10.1021/jm970326r BindingDB Entry DOI: 10.7270/Q2KK99WJ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50061254 (1-(4-Bromo-phenyl)-3-(3-phenyl-8-aza-bicyclo[3.2.1...) Show SMILES OC(CN1C2CCC1CC(C2)c1ccccc1)Cc1ccc(Br)cc1 |TLB:11:9:3:5.6,THB:2:3:9.8.10:5.6| Show InChI InChI=1S/C22H26BrNO/c23-19-8-6-16(7-9-19)12-22(25)15-24-20-10-11-21(24)14-18(13-20)17-4-2-1-3-5-17/h1-9,18,20-22,25H,10-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Sigma-1 binding assay was done in guinea pig membranes by labelling the binding site with [3H]-(+)-pentazocine				J Med Chem 40: 3905-14 (1998) Article DOI: 10.1021/jm970326r BindingDB Entry DOI: 10.7270/Q2KK99WJ
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Homo sapiens (Human))	BDBM50061262 (1-(4-fluorobenzyl)-3-[1-methylspiro[2,3-dihydro-1H...) Show SMILES CN1CC2(CCN(CC2)[C@@H]2CN(Cc3ccc(F)cc3)CC[C@H]2O)c2ccccc12 Show InChI InChI=1S/C25H32FN3O/c1-27-18-25(21-4-2-3-5-22(21)27)11-14-29(15-12-25)23-17-28(13-10-24(23)30)16-19-6-8-20(26)9-7-19/h2-9,23-24,30H,10-18H2,1H3/t23-,24-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding to vesicular acetylcholine transporter of torpedo synaptic vesicles				J Med Chem 40: 3905-14 (1998) Article DOI: 10.1021/jm970326r BindingDB Entry DOI: 10.7270/Q2KK99WJ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50061255 (1-(4-Fluoro-phenyl)-4-(3-phenyl-8-aza-bicyclo[3.2....) Show SMILES Fc1ccc(cc1)C(=O)CCCN1C2CCC1CC(C2)c1ccccc1 |TLB:11:12:18.19.17:14.15| Show InChI InChI=1S/C23H26FNO/c24-20-10-8-18(9-11-20)23(26)7-4-14-25-21-12-13-22(25)16-19(15-21)17-5-2-1-3-6-17/h1-3,5-6,8-11,19,21-22H,4,7,12-16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Sigma-1 binding assay was done in guinea pig membranes by labelling the binding site with [3H]-(+)-pentazocine				J Med Chem 40: 3905-14 (1998) Article DOI: 10.1021/jm970326r BindingDB Entry DOI: 10.7270/Q2KK99WJ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50061252 (1-Phenyl-2-(3-phenyl-8-aza-bicyclo[3.2.1]oct-8-yl)...) Show SMILES OC(CN1C2CCC1CC(C2)c1ccccc1)c1ccccc1 |TLB:11:9:3:5.6| Show InChI InChI=1S/C21H25NO/c23-21(17-9-5-2-6-10-17)15-22-19-11-12-20(22)14-18(13-19)16-7-3-1-4-8-16/h1-10,18-21,23H,11-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Sigma-1 binding assay was done in guinea pig membranes by labelling the binding site with [3H]-(+)-pentazocine				J Med Chem 40: 3905-14 (1998) Article DOI: 10.1021/jm970326r BindingDB Entry DOI: 10.7270/Q2KK99WJ
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50061252 (1-Phenyl-2-(3-phenyl-8-aza-bicyclo[3.2.1]oct-8-yl)...) Show SMILES OC(CN1C2CCC1CC(C2)c1ccccc1)c1ccccc1 |TLB:11:9:3:5.6| Show InChI InChI=1S/C21H25NO/c23-21(17-9-5-2-6-10-17)15-22-19-11-12-20(22)14-18(13-19)16-7-3-1-4-8-16/h1-10,18-21,23H,11-15H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding affinity of the compound for dopamine transporter was determined in rat striatal membrane				J Med Chem 40: 3905-14 (1998) Article DOI: 10.1021/jm970326r BindingDB Entry DOI: 10.7270/Q2KK99WJ
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50061246 (1-(2,6-Dichloro-phenyl)-2-(3-phenyl-8-aza-bicyclo[...) Show SMILES OC(CN1C2CCC1CC(C2)c1ccccc1)c1c(Cl)cccc1Cl |TLB:11:9:3:5.6| Show InChI InChI=1S/C21H23Cl2NO/c22-18-7-4-8-19(23)21(18)20(25)13-24-16-9-10-17(24)12-15(11-16)14-5-2-1-3-6-14/h1-8,15-17,20,25H,9-13H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	42.0	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding affinity for dopamine transporter was determined in rat striatal membrane.				J Med Chem 40: 3905-14 (1998) Article DOI: 10.1021/jm970326r BindingDB Entry DOI: 10.7270/Q2KK99WJ
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Homo sapiens (Human))	BDBM50061251 (1-(3,4-Dichloro-phenyl)-2-(3-phenyl-8-aza-bicyclo[...) Show SMILES OC(CN1C2CCC1CC(C2)c1ccccc1)c1ccc(Cl)c(Cl)c1 |TLB:11:9:3:5.6| Show InChI InChI=1S/C21H23Cl2NO/c22-19-9-6-15(12-20(19)23)21(25)13-24-17-7-8-18(24)11-16(10-17)14-4-2-1-3-5-14/h1-6,9,12,16-18,21,25H,7-8,10-11,13H2	KEGG UniProtKB/SwissProt antibodypedia 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
University of Minnesota Curated by ChEMBL					Assay Description Binding to vesicular acetylcholine transporter of torpedo synaptic vesicles				J Med Chem 40: 3905-14 (1998) Article DOI: 10.1021/jm970326r BindingDB Entry DOI: 10.7270/Q2KK99WJ
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50061243 (1-(2-Bromo-phenyl)-2-(3-phenyl-8-aza-bicyclo[3.2.1...) Show SMILES OC(CN1C2CCC1CC(C2)c1ccccc1)c1ccccc1Br |TLB:11:9:3:5.6| Show InChI InChI=1S/C21H24BrNO/c22-20-9-5-4-8-19(20)21(24)14-23-17-10-11-18(23)13-16(12-17)15-6-2-1-3-7-15/h1-9,16-18,21,24H,10-14H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	67.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding affinity for dopamine transporter was determined in rat striatal membrane.				J Med Chem 40: 3905-14 (1998) Article DOI: 10.1021/jm970326r BindingDB Entry DOI: 10.7270/Q2KK99WJ
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50061256 (1-(4-Bromo-phenyl)-2-(3-phenyl-8-aza-bicyclo[3.2.1...) Show SMILES OC(CN1C2CCC1CC(C2)c1ccccc1)c1ccc(Br)cc1 |TLB:11:9:3:5.6| Show InChI InChI=1S/C21H24BrNO/c22-18-8-6-16(7-9-18)21(24)14-23-19-10-11-20(23)13-17(12-19)15-4-2-1-3-5-15/h1-9,17,19-21,24H,10-14H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	73.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding affinity for dopamine transporter was determined in rat striatal membrane.				J Med Chem 40: 3905-14 (1998) Article DOI: 10.1021/jm970326r BindingDB Entry DOI: 10.7270/Q2KK99WJ
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Homo sapiens (Human))	BDBM50061257 ((1R,2R)-2-(1-methyl-1,2-dihydro-1'H-spiro[indole-3...) Show SMILES CN1CC2(CCN(CC2)[C@@H]2CCCC[C@H]2O)c2ccccc12 Show InChI InChI=1S/C19H28N2O/c1-20-14-19(15-6-2-3-7-16(15)20)10-12-21(13-11-19)17-8-4-5-9-18(17)22/h2-3,6-7,17-18,22H,4-5,8-14H2,1H3/t17-,18-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding to vesicular acetylcholine transporter of torpedo synaptic vesicles				J Med Chem 40: 3905-14 (1998) Article DOI: 10.1021/jm970326r BindingDB Entry DOI: 10.7270/Q2KK99WJ
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Homo sapiens (Human))	BDBM50061265 ((2R,3R)-3-{1-methyl-1,2-dihydrospiro[indole-3,4'-p...) Show SMILES CN1CC2(CCN(CC2)[C@@H]2Cc3ccccc3C[C@H]2O)c2ccccc12 Show InChI InChI=1S/C23H28N2O/c1-24-16-23(19-8-4-5-9-20(19)24)10-12-25(13-11-23)21-14-17-6-2-3-7-18(17)15-22(21)26/h2-9,21-22,26H,10-16H2,1H3/t21-,22-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	77	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding to vesicular acetylcholine transporter of torpedo synaptic vesicles				J Med Chem 40: 3905-14 (1998) Article DOI: 10.1021/jm970326r BindingDB Entry DOI: 10.7270/Q2KK99WJ
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Homo sapiens (Human))	BDBM50061247 (1-(4-fluorophenyl)-4-spiro[2,3-dihydro-1H-indene-1...) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CCc3ccccc23)CC1 Show InChI InChI=1S/C23H26FNO/c24-20-9-7-19(8-10-20)22(26)6-3-15-25-16-13-23(14-17-25)12-11-18-4-1-2-5-21(18)23/h1-2,4-5,7-10H,3,6,11-17H2	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	85	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding to vesicular acetylcholine transporter of torpedo synaptic vesicles				J Med Chem 40: 3905-14 (1998) Article DOI: 10.1021/jm970326r BindingDB Entry DOI: 10.7270/Q2KK99WJ
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Homo sapiens (Human))	BDBM50061261 ((2R)-1-(4-bromophenyl)-3-{2,3-dihydrospiro[indene-...) Show SMILES O[C@@H](CN1CCC2(CCc3ccccc23)CC1)Cc1ccc(Br)cc1 Show InChI InChI=1S/C22H26BrNO/c23-19-7-5-17(6-8-19)15-20(25)16-24-13-11-22(12-14-24)10-9-18-3-1-2-4-21(18)22/h1-8,20,25H,9-16H2/t20-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	86	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding to vesicular acetylcholine transporter of torpedo synaptic vesicles				J Med Chem 40: 3905-14 (1998) Article DOI: 10.1021/jm970326r BindingDB Entry DOI: 10.7270/Q2KK99WJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50061255 (1-(4-Fluoro-phenyl)-4-(3-phenyl-8-aza-bicyclo[3.2....) Show SMILES Fc1ccc(cc1)C(=O)CCCN1C2CCC1CC(C2)c1ccccc1 |TLB:11:12:18.19.17:14.15| Show InChI InChI=1S/C23H26FNO/c24-20-10-8-18(9-11-20)23(26)7-4-14-25-21-12-13-22(25)16-19(15-21)17-5-2-1-3-6-17/h1-3,5-6,8-11,19,21-22H,4,7,12-16H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	88.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding affinity of the compound for serotonin transporter was determined in rat cortical membrane.				J Med Chem 40: 3905-14 (1998) Article DOI: 10.1021/jm970326r BindingDB Entry DOI: 10.7270/Q2KK99WJ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50061243 (1-(2-Bromo-phenyl)-2-(3-phenyl-8-aza-bicyclo[3.2.1...) Show SMILES OC(CN1C2CCC1CC(C2)c1ccccc1)c1ccccc1Br |TLB:11:9:3:5.6| Show InChI InChI=1S/C21H24BrNO/c22-20-9-5-4-8-19(20)21(24)14-23-17-10-11-18(23)13-16(12-17)15-6-2-1-3-7-15/h1-9,16-18,21,24H,10-14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	95.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Sigma-1 binding assay was done in guinea pig membranes by labelling the binding site with [3H]-(+)-pentazocine.				J Med Chem 40: 3905-14 (1998) Article DOI: 10.1021/jm970326r BindingDB Entry DOI: 10.7270/Q2KK99WJ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50061248 ((1R)-1-(3-bromophenyl)-2-(2,3-dihydro-1'H-spiro[in...) Show SMILES O[C@@H](CN1CCC2(CCc3ccccc23)CC1)c1cccc(Br)c1 Show InChI InChI=1S/C21H24BrNO/c22-18-6-3-5-17(14-18)20(24)15-23-12-10-21(11-13-23)9-8-16-4-1-2-7-19(16)21/h1-7,14,20,24H,8-13,15H2/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	107	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Sigma-1 binding assay was done in guinea pig membranes by labelling the binding site with [3H]-(+)-pentazocine				J Med Chem 40: 3905-14 (1998) Article DOI: 10.1021/jm970326r BindingDB Entry DOI: 10.7270/Q2KK99WJ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50061259 (1-(4-fluorophenyl)-4-[1-methylspiro[2,3-dihydro-1H...) Show SMILES CN1CC2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)c2ccccc12 Show InChI InChI=1S/C23H27FN2O/c1-25-17-23(20-5-2-3-6-21(20)25)12-15-26(16-13-23)14-4-7-22(27)18-8-10-19(24)11-9-18/h2-3,5-6,8-11H,4,7,12-17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Sigma-1 binding assay was done in guinea pig membranes by labelling the binding site with [3H]-(+)-pentazocine				J Med Chem 40: 3905-14 (1998) Article DOI: 10.1021/jm970326r BindingDB Entry DOI: 10.7270/Q2KK99WJ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50061244 (1-(3-Bromo-phenyl)-2-(3-phenyl-8-aza-bicyclo[3.2.1...) Show SMILES OC(CN1C2CCC1CC(C2)c1ccccc1)c1cccc(Br)c1 |TLB:11:9:3:5.6| Show InChI InChI=1S/C21H24BrNO/c22-18-8-4-7-16(11-18)21(24)14-23-19-9-10-20(23)13-17(12-19)15-5-2-1-3-6-15/h1-8,11,17,19-21,24H,9-10,12-14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	117	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Sigma-1 binding assay was done in guinea pig membranes by labelling the binding site with [3H]-(+)-pentazocine				J Med Chem 40: 3905-14 (1998) Article DOI: 10.1021/jm970326r BindingDB Entry DOI: 10.7270/Q2KK99WJ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50061258 (1-(3-Iodobenzyl)-3-[1-methylspiro[2,3-dihydro-1H-i...) Show SMILES CN1CC2(CCN(CC2)[C@@H]2CN(Cc3cccc(I)c3)CC[C@H]2O)c2ccccc12 Show InChI InChI=1S/C25H32IN3O/c1-27-18-25(21-7-2-3-8-22(21)27)10-13-29(14-11-25)23-17-28(12-9-24(23)30)16-19-5-4-6-20(26)15-19/h2-8,15,23-24,30H,9-14,16-18H2,1H3/t23-,24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	122	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Sigma-1 binding assay was done in guinea pig membranes by labelling the binding site with [3H]-(+)-pentazocine				J Med Chem 40: 3905-14 (1998) Article DOI: 10.1021/jm970326r BindingDB Entry DOI: 10.7270/Q2KK99WJ
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50061255 (1-(4-Fluoro-phenyl)-4-(3-phenyl-8-aza-bicyclo[3.2....) Show SMILES Fc1ccc(cc1)C(=O)CCCN1C2CCC1CC(C2)c1ccccc1 |TLB:11:12:18.19.17:14.15| Show InChI InChI=1S/C23H26FNO/c24-20-10-8-18(9-11-20)23(26)7-4-14-25-21-12-13-22(25)16-19(15-21)17-5-2-1-3-6-17/h1-3,5-6,8-11,19,21-22H,4,7,12-16H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	129	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding affinity for dopamine transporter was determined in rat striatal membrane.				J Med Chem 40: 3905-14 (1998) Article DOI: 10.1021/jm970326r BindingDB Entry DOI: 10.7270/Q2KK99WJ
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Homo sapiens (Human))	BDBM50061243 (1-(2-Bromo-phenyl)-2-(3-phenyl-8-aza-bicyclo[3.2.1...) Show SMILES OC(CN1C2CCC1CC(C2)c1ccccc1)c1ccccc1Br |TLB:11:9:3:5.6| Show InChI InChI=1S/C21H24BrNO/c22-20-9-5-4-8-19(20)21(24)14-23-17-10-11-18(23)13-16(12-17)15-6-2-1-3-7-15/h1-9,16-18,21,24H,10-14H2	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding to vesicular acetylcholine transporter of torpedo synaptic vesicles				J Med Chem 40: 3905-14 (1998) Article DOI: 10.1021/jm970326r BindingDB Entry DOI: 10.7270/Q2KK99WJ
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Homo sapiens (Human))	BDBM50061256 (1-(4-Bromo-phenyl)-2-(3-phenyl-8-aza-bicyclo[3.2.1...) Show SMILES OC(CN1C2CCC1CC(C2)c1ccccc1)c1ccc(Br)cc1 |TLB:11:9:3:5.6| Show InChI InChI=1S/C21H24BrNO/c22-18-8-6-16(7-9-18)21(24)14-23-19-10-11-20(23)13-17(12-19)15-4-2-1-3-5-15/h1-9,17,19-21,24H,10-14H2	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	144	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding to vesicular acetylcholine transporter of torpedo synaptic vesicles				J Med Chem 40: 3905-14 (1998) Article DOI: 10.1021/jm970326r BindingDB Entry DOI: 10.7270/Q2KK99WJ
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Homo sapiens (Human))	BDBM50009595 (1-(4-Bromo-phenyl)-3-(4-phenyl-piperidin-1-yl)-pro...) Show SMILES OC(CN1CCC(CC1)c1ccccc1)Cc1ccc(Br)cc1 Show InChI InChI=1S/C20H24BrNO/c21-19-8-6-16(7-9-19)14-20(23)15-22-12-10-18(11-13-22)17-4-2-1-3-5-17/h1-9,18,20,23H,10-15H2	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding to vesicular acetylcholine transporter of torpedo synaptic vesicles				J Med Chem 40: 3905-14 (1998) Article DOI: 10.1021/jm970326r BindingDB Entry DOI: 10.7270/Q2KK99WJ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50061263 ((2S,3S)-3-(3-Phenyl-8-aza-bicyclo[3.2.1]oct-8-yl)-...) Show SMILES O[C@H]1Cc2ccccc2C[C@@H]1N1C2CCC1CC(C2)c1ccccc1 |TLB:10:11:17.18.16:13.14,19:17:11:13.14| Show InChI InChI=1S/C23H27NO/c25-23-15-18-9-5-4-8-17(18)14-22(23)24-20-10-11-21(24)13-19(12-20)16-6-2-1-3-7-16/h1-9,19-23,25H,10-15H2/t19?,20?,21?,22-,23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	175	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Sigma-1 binding assay was done in guinea pig membranes by labelling the binding site with [3H]-(+)-pentazocine				J Med Chem 40: 3905-14 (1998) Article DOI: 10.1021/jm970326r BindingDB Entry DOI: 10.7270/Q2KK99WJ
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Homo sapiens (Human))	BDBM50061253 ((1R)-1-(3-bromophenyl)-2-(1-methyl-1,2-dihydro-1'H...) Show SMILES CN1CC2(CCN(C[C@H](O)c3cccc(Br)c3)CC2)c2ccccc12 Show InChI InChI=1S/C21H25BrN2O/c1-23-15-21(18-7-2-3-8-19(18)23)9-11-24(12-10-21)14-20(25)16-5-4-6-17(22)13-16/h2-8,13,20,25H,9-12,14-15H2,1H3/t20-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	182	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding to vesicular acetylcholine transporter of torpedo synaptic vesicles				J Med Chem 40: 3905-14 (1998) Article DOI: 10.1021/jm970326r BindingDB Entry DOI: 10.7270/Q2KK99WJ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50061260 ((2R)-1-(4-bromophenyl)-3-{1-methyl-1,2-dihydrospir...) Show SMILES CN1CC2(CCN(C[C@H](O)Cc3ccc(Br)cc3)CC2)c2ccccc12 Show InChI InChI=1S/C22H27BrN2O/c1-24-16-22(20-4-2-3-5-21(20)24)10-12-25(13-11-22)15-19(26)14-17-6-8-18(23)9-7-17/h2-9,19,26H,10-16H2,1H3/t19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	191	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Sigma-1 binding assay was done in guinea pig membranes by labelling the binding site with [3H]-(+)-pentazocine				J Med Chem 40: 3905-14 (1998) Article DOI: 10.1021/jm970326r BindingDB Entry DOI: 10.7270/Q2KK99WJ
					More data for this Ligand-Target Pair

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