Compile Data Set for Download or QSAR

Found 744 hits with Last Name = 'brust' and Initial = 'p'   

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
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50035105 (1'-{4-[1-(4-fluorophenyl)-1H-3-indolyl]butyl}spiro...) Show SMILES Fc1ccc(cc1)-n1cc(CCCCN2CCC3(CC2)OCc2ccccc32)c2ccccc12 Show InChI InChI=1S/C30H31FN2O/c31-25-12-14-26(15-13-25)33-21-23(27-9-2-4-11-29(27)33)7-5-6-18-32-19-16-30(17-20-32)28-10-3-1-8-24(28)22-34-30/h1-4,8-15,21H,5-7,16-20,22H2	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor in rat liver membranes incubated for 120 mins by scintillation counting method				J Med Chem 61: 9666-9690 (2018) Article DOI: 10.1021/acs.jmedchem.8b01183 BindingDB Entry DOI: 10.7270/Q2M32Z9M
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50035105 (1'-{4-[1-(4-fluorophenyl)-1H-3-indolyl]butyl}spiro...) Show SMILES Fc1ccc(cc1)-n1cc(CCCCN2CCC3(CC2)OCc2ccccc32)c2ccccc12 Show InChI InChI=1S/C30H31FN2O/c31-25-12-14-26(15-13-25)33-21-23(27-9-2-4-11-29(27)33)7-5-6-18-32-19-16-30(17-20-32)28-10-3-1-8-24(28)22-34-30/h1-4,8-15,21H,5-7,16-20,22H2	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-DTG from sigma2 receptor in rat liver membranes				J Med Chem 61: 9666-9690 (2018) Article DOI: 10.1021/acs.jmedchem.8b01183 BindingDB Entry DOI: 10.7270/Q2M32Z9M
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50361993 (CHEMBL1939700) Show SMILES FCC1OC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc12 Show InChI InChI=1S/C20H21F2NO/c21-13-19-17-3-1-2-4-18(17)20(24-19)9-11-23(12-10-20)14-15-5-7-16(22)8-6-15/h1-8,19H,9-14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Radiopharmacy Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain homogenates after 180 mins by solid scintillation counting				Bioorg Med Chem 20: 257-69 (2011) Article DOI: 10.1016/j.bmc.2011.11.002 BindingDB Entry DOI: 10.7270/Q2NG4R2V
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50259004 (1'-[4-Fluorobenzyl]-3H-spiro[[2]benzofuran-1,4'pip...) Show SMILES Fc1ccc(CN2CCC3(CC2)OCc2ccccc32)cc1 Show InChI InChI=1S/C19H20FNO/c20-17-7-5-15(6-8-17)13-21-11-9-19(10-12-21)18-4-2-1-3-16(18)14-22-19/h1-8H,9-14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Pharmazeutische und Medizinische Chemie der Universität Münster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane by solid scintillation analysis				Bioorg Med Chem 17: 3630-41 (2009) Article DOI: 10.1016/j.bmc.2009.03.060 BindingDB Entry DOI: 10.7270/Q2BZ65XT
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50393252 (CHEMBL2151570) Show SMILES C1CN2CCC1[C@H](C2)Oc1ccc(nn1)-c1ccc2[nH]ccc2c1 |r,wU:6.9,(10.31,-30.96,;10.31,-32.5,;11.64,-33.26,;10.9,-31.9,;12.4,-31.51,;11.64,-30.18,;12.97,-30.96,;12.97,-32.5,;14.31,-30.2,;15.64,-30.97,;16.97,-30.21,;18.3,-30.98,;18.3,-32.52,;16.96,-33.29,;15.63,-32.51,;19.62,-33.3,;19.61,-34.84,;20.94,-35.61,;22.28,-34.84,;23.75,-35.31,;24.65,-34.07,;23.75,-32.82,;22.28,-33.3,;20.95,-32.53,)| Show InChI InChI=1S/C19H20N4O/c1-2-16-15(5-8-20-16)11-14(1)17-3-4-19(22-21-17)24-18-12-23-9-6-13(18)7-10-23/h1-5,8,11,13,18,20H,6-7,9-10,12H2/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mahidol University Curated by ChEMBL					Assay Description Displacement of [3H]A-585539 from alpha7 nAChR in human cerebral cortex membranes after 75 mins by scintillation counting				ACS Med Chem Lett 7: 890-895 (2016) Article DOI: 10.1021/acsmedchemlett.6b00146 BindingDB Entry DOI: 10.7270/Q2ZW1QDQ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50218673 (2-(2-((dimethylamino)methyl)-4-fluorophenylthio)-5...) Show SMILES CN(C)Cc1cc(F)ccc1Sc1ccc(C)cc1N Show InChI InChI=1S/C16H19FN2S/c1-11-4-6-16(14(18)8-11)20-15-7-5-13(17)9-12(15)10-19(2)3/h4-9H,10,18H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Interdisziplinäre Isotopenforschung Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from SERT in rat brain				Bioorg Med Chem Lett 17: 4991-5 (2007) Article DOI: 10.1016/j.bmcl.2007.02.082 BindingDB Entry DOI: 10.7270/Q2B27TZJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50218674 (3-amino-4-(2-((dimethylamino)methyl)-4-fluoropheny...) Show SMILES CN(C)Cc1cc(F)ccc1Sc1ccc(cc1N)C#N Show InChI InChI=1S/C16H16FN3S/c1-20(2)10-12-8-13(17)4-6-15(12)21-16-5-3-11(9-18)7-14(16)19/h3-8H,10,19H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Interdisziplinäre Isotopenforschung Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT in rat brain				Bioorg Med Chem Lett 17: 4991-5 (2007) Article DOI: 10.1016/j.bmcl.2007.02.082 BindingDB Entry DOI: 10.7270/Q2B27TZJ
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Homo sapiens (Human))	BDBM50366029 (CHEMBL1956465) Show SMILES CCN(C(=O)CF)c1cccc2C[C@@H](O)[C@@H](Cc12)N1CCC(CC1)c1ccccc1 |r| Show InChI InChI=1S/C25H31FN2O2/c1-2-28(25(30)17-26)22-10-6-9-20-15-24(29)23(16-21(20)22)27-13-11-19(12-14-27)18-7-4-3-5-8-18/h3-10,19,23-24,29H,2,11-17H2,1H3/t23-,24-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Radiopharmacy Curated by ChEMBL					Assay Description Binding affinity to VAchT				Bioorg Med Chem Lett 22: 2163-6 (2012) Article DOI: 10.1016/j.bmcl.2012.01.127 BindingDB Entry DOI: 10.7270/Q2K9380F
					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
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50218670 (5-chloro-2-(2-((dimethylamino)methyl)-4-fluorophen...) Show SMILES CN(C)Cc1cc(F)ccc1Sc1ccc(Cl)cc1N Show InChI InChI=1S/C15H16ClFN2S/c1-19(2)9-10-7-12(17)4-6-14(10)20-15-5-3-11(16)8-13(15)18/h3-8H,9,18H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Interdisziplinäre Isotopenforschung Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from SERT in rat brain				Bioorg Med Chem Lett 17: 4991-5 (2007) Article DOI: 10.1016/j.bmcl.2007.02.082 BindingDB Entry DOI: 10.7270/Q2B27TZJ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50048866 (1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-na...) Show SMILES COc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc12 Show InChI InChI=1S/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in quinea pig brain membranes				J Med Chem 61: 9666-9690 (2018) Article DOI: 10.1021/acs.jmedchem.8b01183 BindingDB Entry DOI: 10.7270/Q2M32Z9M
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	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 DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Interdisziplinäre Isotopenforschung Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from human SERT expressed in HEK293 cells				Bioorg Med Chem Lett 18: 4727-30 (2008) Article DOI: 10.1016/j.bmcl.2008.06.077 BindingDB Entry DOI: 10.7270/Q2M61K2K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium-dependent serotonin transporter (Homo sapiens (Human))	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 DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hadassah-Hebrew University Hospital Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from human SERT expressed in HEK293 cells				Bioorg Med Chem 16: 6364-70 (2008) Article DOI: 10.1016/j.bmc.2008.05.006 BindingDB Entry DOI: 10.7270/Q218368W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50048866 (1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-na...) Show SMILES COc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc12 Show InChI InChI=1S/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain cortex membranes incubated for 120 mins by scintillation counting metho...				J Med Chem 61: 9666-9690 (2018) Article DOI: 10.1021/acs.jmedchem.8b01183 BindingDB Entry DOI: 10.7270/Q2M32Z9M
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50600964 (CHEMBL5181335) Show SMILES Cc1s\c(=N/C(=O)C2C(C)(C)C2(C)C)n(CCCC[18F])c1C Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00256 BindingDB Entry DOI: 10.7270/Q2Z89HGZ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	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 DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	0.420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Interdisziplinäre Isotopenforschung Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from human SERT expressed in HEK293 cells				Bioorg Med Chem Lett 18: 4727-30 (2008) Article DOI: 10.1016/j.bmcl.2008.06.077 BindingDB Entry DOI: 10.7270/Q2M61K2K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium-dependent serotonin transporter (Homo sapiens (Human))	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 DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	0.420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hadassah-Hebrew University Hospital Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from human SERT expressed in HEK293 cells				Bioorg Med Chem 16: 6364-70 (2008) Article DOI: 10.1016/j.bmc.2008.05.006 BindingDB Entry DOI: 10.7270/Q218368W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50343621 (1-(1,3-Benzodioxol-5-ylmethyl)-4-(4-nitrobenzyl)pi...) Show SMILES [O-][N+](=O)c1ccc(CN2CCN(Cc3ccc4OCOc4c3)CC2)cc1 Show InChI InChI=1S/C19H21N3O4/c23-22(24)17-4-1-15(2-5-17)12-20-7-9-21(10-8-20)13-16-3-6-18-19(11-16)26-14-25-18/h1-6,11H,7-10,12-14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	0.430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Key Laboratory of Radiopharmaceuticals (Beijing Normal University) Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from sigma 1 receptor in rat brain membranes by competitive binding assay				Bioorg Med Chem 19: 2911-7 (2011) Article DOI: 10.1016/j.bmc.2011.03.037 BindingDB Entry DOI: 10.7270/Q2QJ7HN1
					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
Institute of Radiopharmacy Curated by ChEMBL					Assay Description Binding affinity to VAchT				Bioorg Med Chem Lett 22: 2163-6 (2012) Article DOI: 10.1016/j.bmcl.2012.01.127 BindingDB Entry DOI: 10.7270/Q2K9380F
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Rattus norvegicus (Rat))	BDBM86522 (CAS_325715-02-4 | Indiplon) Show SMILES CN(C(C)=O)c1cccc(c1)-c1ccnc2c(cnn12)C(=O)c1cccs1 Show InChI InChI=1S/C20H16N4O2S/c1-13(25)23(2)15-6-3-5-14(11-15)17-8-9-21-20-16(12-22-24(17)20)19(26)18-7-4-10-27-18/h3-12H,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ABX advanced biochemical compounds GmbH Curated by ChEMBL					Assay Description Displacement of [3H]Ro15-1788 from GABAA alpha1 receptor in Sprague-Dawley rat cerebral cortex membrane				Bioorg Med Chem 16: 1184-94 (2008) Article DOI: 10.1016/j.bmc.2007.10.079 BindingDB Entry DOI: 10.7270/Q2QR4XZZ
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Rattus norvegicus (Rat))	BDBM86522 (CAS_325715-02-4 | Indiplon) Show SMILES CN(C(C)=O)c1cccc(c1)-c1ccnc2c(cnn12)C(=O)c1cccs1 Show InChI InChI=1S/C20H16N4O2S/c1-13(25)23(2)15-6-3-5-14(11-15)17-8-9-21-20-16(12-22-24(17)20)19(26)18-7-4-10-27-18/h3-12H,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	0.550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ABX advanced biochemical compounds GmbH Curated by ChEMBL					Assay Description Displacement of [3H]Ro15-1788 from GABAA alpha-1 receptor in Sprague-Dawley rat cerebellar membrane				Bioorg Med Chem 16: 1184-94 (2008) Article DOI: 10.1016/j.bmc.2007.10.079 BindingDB Entry DOI: 10.7270/Q2QR4XZZ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50299285 (1'-Cyclohexylmethyl-3-(3-fluoropropyl)-3H-spiro[[2...) Show SMILES FCCCC1OC2(CCN(CC3CCCCC3)CC2)c2ccccc12 Show InChI InChI=1S/C22H32FNO/c23-14-6-11-21-19-9-4-5-10-20(19)22(25-21)12-15-24(16-13-22)17-18-7-2-1-3-8-18/h4-5,9-10,18,21H,1-3,6-8,11-17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane after 180 mins by scintillation counting				J Med Chem 52: 6062-72 (2009) Article DOI: 10.1021/jm900909e BindingDB Entry DOI: 10.7270/Q2KH0ND9
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50334161 (1'-(4-fluorobenzyl)-3-(2-fluoroethyl)-3H-spiro[iso...) Show SMILES FCCC1OC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc12 Show InChI InChI=1S/C21H23F2NO/c22-12-9-20-18-3-1-2-4-19(18)21(25-20)10-13-24(14-11-21)15-16-5-7-17(23)8-6-16/h1-8,20H,9-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane by scintillation counting				Bioorg Med Chem 19: 393-405 (2011) Article DOI: 10.1016/j.bmc.2010.11.013 BindingDB Entry DOI: 10.7270/Q23F4PWG
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50259004 (1'-[4-Fluorobenzyl]-3H-spiro[[2]benzofuran-1,4'pip...) Show SMILES Fc1ccc(CN2CCC3(CC2)OCc2ccccc32)cc1 Show InChI InChI=1S/C19H20FNO/c20-17-7-5-15(6-8-17)13-21-11-9-19(10-12-21)18-4-2-1-3-16(18)14-22-19/h1-8H,9-14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Key Laboratory of Radiopharmaceuticals Beijing Normal University Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from rat brain sigma1 receptor by competitive binding assay				J Med Chem 56: 3478-91 (2013) Article DOI: 10.1021/jm301734g BindingDB Entry DOI: 10.7270/Q28W3FN3
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50334158 (1'-benzyl-3-(2-fluoroethyl)-3H-spiro[[2]benzofuran...) Show SMILES FCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12 Show InChI InChI=1S/C21H24FNO/c22-13-10-20-18-8-4-5-9-19(18)21(24-20)11-14-23(15-12-21)16-17-6-2-1-3-7-17/h1-9,20H,10-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Radiopharmacy Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain homogenates after 180 mins by solid scintillation counting				Bioorg Med Chem 20: 257-69 (2011) Article DOI: 10.1016/j.bmc.2011.11.002 BindingDB Entry DOI: 10.7270/Q2NG4R2V
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50334158 (1'-benzyl-3-(2-fluoroethyl)-3H-spiro[[2]benzofuran...) Show SMILES FCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12 Show InChI InChI=1S/C21H24FNO/c22-13-10-20-18-8-4-5-9-19(18)21(24-20)11-14-23(15-12-21)16-17-6-2-1-3-7-17/h1-9,20H,10-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane by scintillation counting				Bioorg Med Chem 19: 393-405 (2011) Article DOI: 10.1016/j.bmc.2010.11.013 BindingDB Entry DOI: 10.7270/Q23F4PWG
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50600961 (CHEMBL5198892) Show SMILES FCCCCn1c2ncccc2cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c1=O |TLB:16:17:20:23.24.22,THB:25:17:20:23.24.22,25:23:20:26.17.18,22:21:18:25.23.24,22:23:20.21.26:18| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00256 BindingDB Entry DOI: 10.7270/Q2Z89HGZ
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Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50600966 (CHEMBL5205138) Show SMILES [2H]C([2H])([18F])C([2H])([2H])C([2H])([2H])OC(=O)C(CC)(CC)NC(=O)c1ccc(N2CC(C2)OC)c(OC[C@H]2C[C@@H]2CO)n1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00256 BindingDB Entry DOI: 10.7270/Q2Z89HGZ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50110788 (2-(2-((dimethylamino)methyl)phenylthio)-5-methylan...) Show SMILES CN(C)Cc1ccccc1Sc1ccc(C)cc1N Show InChI InChI=1S/C16H20N2S/c1-12-8-9-16(14(17)10-12)19-15-7-5-4-6-13(15)11-18(2)3/h4-10H,11,17H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Interdisziplinäre Isotopenforschung Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from SERT in rat brain				Bioorg Med Chem Lett 17: 4991-5 (2007) Article DOI: 10.1016/j.bmcl.2007.02.082 BindingDB Entry DOI: 10.7270/Q2B27TZJ
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50326618 (CHEMBL1254015 | [11C]-3-(2-methoxyethyl)-4,5-dimet...) Show SMILES COCCn1c(C)c(C)sc1=NC(=O)C1C(C)(C)C1(C)C |w:11.12| Show InChI InChI=1S/C16H26N2O2S/c1-10-11(2)21-14(18(10)8-9-20-7)17-13(19)12-15(3,4)16(12,5)6/h12H,8-9H2,1-7H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Binding affinity to human cannabinoid CB2 receptor				Bioorg Med Chem 21: 7481-98 (2013) Article DOI: 10.1016/j.bmc.2013.09.040 BindingDB Entry DOI: 10.7270/Q2Q2435T
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50058020 (4-[1-((E)-3-Iodo-allyl)-piperidin-4-ylmethoxy]-ben...) Show SMILES I\C=C\CN1CCC(COc2ccc(cc2)C#N)CC1 Show InChI InChI=1S/C16H19IN2O/c17-8-1-9-19-10-6-15(7-11-19)13-20-16-4-2-14(12-18)3-5-16/h1-5,8,15H,6-7,9-11,13H2/b8-1+	PDB 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
Key Laboratory of Radiopharmaceuticals Beijing Normal University Curated by ChEMBL					Assay Description Binding affinity to human brain sigma1 receptor				J Med Chem 56: 3478-91 (2013) Article DOI: 10.1021/jm301734g BindingDB Entry DOI: 10.7270/Q28W3FN3
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50048866 (1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-na...) Show SMILES COc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc12 Show InChI InChI=1S/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor in rat liver membranes incubated for 120 mins by scintillation counting method				J Med Chem 61: 9666-9690 (2018) Article DOI: 10.1021/acs.jmedchem.8b01183 BindingDB Entry DOI: 10.7270/Q2M32Z9M
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50048866 (1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-na...) Show SMILES COc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc12 Show InChI InChI=1S/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-DTG from sigma2 receptor in rat liver membranes				J Med Chem 61: 9666-9690 (2018) Article DOI: 10.1021/acs.jmedchem.8b01183 BindingDB Entry DOI: 10.7270/Q2M32Z9M
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50334163 (1'-(Cyclohexylmethyl)-3-(2-fluoroethyl)-3H-spiro[[...) Show SMILES FCCC1OC2(CCN(CC3CCCCC3)CC2)c2ccccc12 Show InChI InChI=1S/C21H30FNO/c22-13-10-20-18-8-4-5-9-19(18)21(24-20)11-14-23(15-12-21)16-17-6-2-1-3-7-17/h4-5,8-9,17,20H,1-3,6-7,10-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane by scintillation counting				Bioorg Med Chem 19: 393-405 (2011) Article DOI: 10.1016/j.bmc.2010.11.013 BindingDB Entry DOI: 10.7270/Q23F4PWG
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50010588 ((RS)-3,4-(methylenedioxy)methamphetamine | 1-(1,3-...) Show SMILES CNC(C)Cc1ccc2OCOc2c1 Show InChI InChI=1S/C11H15NO2/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10/h3-4,6,8,12H,5,7H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hadassah-Hebrew University Hospital Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from human SERT expressed in HEK293 cells				Bioorg Med Chem 16: 6364-70 (2008) Article DOI: 10.1016/j.bmc.2008.05.006 BindingDB Entry DOI: 10.7270/Q218368W
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50110788 (2-(2-((dimethylamino)methyl)phenylthio)-5-methylan...) Show SMILES CN(C)Cc1ccccc1Sc1ccc(C)cc1N Show InChI InChI=1S/C16H20N2S/c1-12-8-9-16(14(17)10-12)19-15-7-5-4-6-13(15)11-18(2)3/h4-10H,11,17H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Interdisziplinäre Isotopenforschung Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from human SERT expressed in HEK293 cells				Bioorg Med Chem Lett 18: 4727-30 (2008) Article DOI: 10.1016/j.bmcl.2008.06.077 BindingDB Entry DOI: 10.7270/Q2M61K2K
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50361998 (CHEMBL1939698) Show SMILES FCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12 Show InChI InChI=1S/C20H22FNO/c21-14-19-17-8-4-5-9-18(17)20(23-19)10-12-22(13-11-20)15-16-6-2-1-3-7-16/h1-9,19H,10-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Radiopharmacy Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain homogenates after 180 mins by solid scintillation counting				Bioorg Med Chem 20: 257-69 (2011) Article DOI: 10.1016/j.bmc.2011.11.002 BindingDB Entry DOI: 10.7270/Q2NG4R2V
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50343619 (1-(1,3-Benzodioxol-5-ylmethyl)-4-(4-bromobenzyl)pi...) Show SMILES Brc1ccc(CN2CCN(Cc3ccc4OCOc4c3)CC2)cc1 Show InChI InChI=1S/C19H21BrN2O2/c20-17-4-1-15(2-5-17)12-21-7-9-22(10-8-21)13-16-3-6-18-19(11-16)24-14-23-18/h1-6,11H,7-10,12-14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.780	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Key Laboratory of Radiopharmaceuticals (Beijing Normal University) Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from sigma 1 receptor in rat brain membranes by competitive binding assay				Bioorg Med Chem 19: 2911-7 (2011) Article DOI: 10.1016/j.bmc.2011.03.037 BindingDB Entry DOI: 10.7270/Q2QJ7HN1
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50259001 (1'-(4-Fluorobenzyl)-3-methoxy-3H-spiro[[2]benzofur...) Show SMILES COC1OC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc12 Show InChI InChI=1S/C20H22FNO2/c1-23-19-17-4-2-3-5-18(17)20(24-19)10-12-22(13-11-20)14-15-6-8-16(21)9-7-15/h2-9,19H,10-14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Pharmazeutische und Medizinische Chemie der Universität Münster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane by solid scintillation analysis				Bioorg Med Chem 17: 3630-41 (2009) Article DOI: 10.1016/j.bmc.2009.03.060 BindingDB Entry DOI: 10.7270/Q2BZ65XT
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50432550 (CHEMBL2347001) Show SMILES FCCOc1ccc(CN2CCC3(CC2)OCc2ccccc32)cc1 Show InChI InChI=1S/C21H24FNO2/c22-11-14-24-19-7-5-17(6-8-19)15-23-12-9-21(10-13-23)20-4-2-1-3-18(20)16-25-21/h1-8H,9-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Key Laboratory of Radiopharmaceuticals Beijing Normal University Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from rat brain sigma1 receptor by competitive binding assay				J Med Chem 56: 3478-91 (2013) Article DOI: 10.1021/jm301734g BindingDB Entry DOI: 10.7270/Q28W3FN3
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50343620 (1-(1,3-Benzodioxol-5-ylmethyl)-4-(4-iodobenzyl)pip...) Show SMILES Ic1ccc(CN2CCN(Cc3ccc4OCOc4c3)CC2)cc1 Show InChI InChI=1S/C19H21IN2O2/c20-17-4-1-15(2-5-17)12-21-7-9-22(10-8-21)13-16-3-6-18-19(11-16)24-14-23-18/h1-6,11H,7-10,12-14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Key Laboratory of Radiopharmaceuticals (Beijing Normal University) Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from sigma 1 receptor in rat brain membranes by competitive binding assay				Bioorg Med Chem 19: 2911-7 (2011) Article DOI: 10.1016/j.bmc.2011.03.037 BindingDB Entry DOI: 10.7270/Q2QJ7HN1
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50343618 (1-(1,3-Benzodioxol-5-ylmethyl)-4-(4-fluorobenzyl)p...) Show SMILES Fc1ccc(CN2CCN(Cc3ccc4OCOc4c3)CC2)cc1 Show InChI InChI=1S/C19H21FN2O2/c20-17-4-1-15(2-5-17)12-21-7-9-22(10-8-21)13-16-3-6-18-19(11-16)24-14-23-18/h1-6,11H,7-10,12-14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.850	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Key Laboratory of Radiopharmaceuticals (Beijing Normal University) Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from sigma 1 receptor in rat brain membranes by competitive binding assay				Bioorg Med Chem 19: 2911-7 (2011) Article DOI: 10.1016/j.bmc.2011.03.037 BindingDB Entry DOI: 10.7270/Q2QJ7HN1
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50258915 (1'-(4-Fluorobenzyl)-3H-spiro[[2]benzofuran-1,4'-pi...) Show SMILES Fc1ccc(CN2CCC3(CC2)OC(C#N)c2ccccc32)cc1 Show InChI InChI=1S/C20H19FN2O/c21-16-7-5-15(6-8-16)14-23-11-9-20(10-12-23)18-4-2-1-3-17(18)19(13-22)24-20/h1-8,19H,9-12,14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.860	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Pharmazeutische und Medizinische Chemie der Universität Münster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane by solid scintillation analysis				Bioorg Med Chem 17: 3630-41 (2009) Article DOI: 10.1016/j.bmc.2009.03.060 BindingDB Entry DOI: 10.7270/Q2BZ65XT
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Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50600965 (CHEMBL5182619) Show SMILES COc1cccc2c1n(CCOCCC[18F])cc(C(=O)NC13CC4CC(CC(C4)C1)C3)c2=O |TLB:24:25:23.22.28:29,THB:24:23:29:30.25.26,26:25:22:28.27.29,26:27:30.25.24:22| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00256 BindingDB Entry DOI: 10.7270/Q2Z89HGZ
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Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50343622 (1-(1,3-Benzodioxol-5-ylmethyl)-4-(4-methylbenzyl)-...) Show SMILES Cc1ccc(CN2CCN(Cc3ccc4OCOc4c3)CC2)cc1 Show InChI InChI=1S/C20H24N2O2/c1-16-2-4-17(5-3-16)13-21-8-10-22(11-9-21)14-18-6-7-19-20(12-18)24-15-23-19/h2-7,12H,8-11,13-15H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.910	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Key Laboratory of Radiopharmaceuticals (Beijing Normal University) Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from sigma 1 receptor in rat brain membranes by competitive binding assay				Bioorg Med Chem 19: 2911-7 (2011) Article DOI: 10.1016/j.bmc.2011.03.037 BindingDB Entry DOI: 10.7270/Q2QJ7HN1
					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
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM92878 (Quinuclidine analogue, 5) Show SMILES O=C(N[C@@H]1C2CCN(CC2)C1Cc1cccnc1)c1cc2ccccc2o1 |r,wU:3.2,(7.05,2.04,;7.05,3.58,;5.72,4.35,;4.39,3.58,;3.05,4.35,;1.72,3.58,;1.72,2.04,;3.05,1.27,;2.83,2.56,;3.77,3.23,;4.39,2.04,;5.72,1.27,;5.72,-.27,;4.39,-1.04,;4.39,-2.58,;5.72,-3.35,;7.05,-2.58,;7.05,-1.04,;8.39,4.35,;9.53,3.31,;10.87,4.08,;12.33,3.61,;13.47,4.64,;13.15,6.15,;11.69,6.62,;10.55,5.59,;9.01,5.75,)| Show InChI InChI=1S/C22H23N3O2/c26-22(20-13-17-5-1-2-6-19(17)27-20)24-21-16-7-10-25(11-8-16)18(21)12-15-4-3-9-23-14-15/h1-6,9,13-14,16,18,21H,7-8,10-12H2,(H,24,26)/t18?,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase 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
Mahidol University Curated by ChEMBL					Assay Description Displacement of [3H]MLA from alpha7 nAChR in rat hippocampal membranes				ACS Med Chem Lett 7: 890-895 (2016) Article DOI: 10.1021/acsmedchemlett.6b00146 BindingDB Entry DOI: 10.7270/Q2ZW1QDQ
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Homo sapiens (Human))	BDBM50299280 (1'-benzyl-3-(3-fluoropropyl)-3H-spiro[[2]benzofura...) Show SMILES FCCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12 Show InChI InChI=1S/C22H26FNO/c23-14-6-11-21-19-9-4-5-10-20(19)22(25-21)12-15-24(16-13-22)17-18-7-2-1-3-8-18/h1-5,7-10,21H,6,11-17H2	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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 Radiopharmacy Curated by ChEMBL					Assay Description Binding affinity to VAChT				Bioorg Med Chem 20: 257-69 (2011) Article DOI: 10.1016/j.bmc.2011.11.002 BindingDB Entry DOI: 10.7270/Q2NG4R2V
					More data for this Ligand-Target Pair

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