Compile Data Set for Download or QSAR

Found 1147 hits of ki data for polymerid = 49000889,49000998,49000999,49001001   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50170654 ((+-)-cis-4-(3-(4-tert-butylphenyl)-2-methylpropyl)...) Show SMILES CC(CN1C[C@H](C)O[C@H](C)C1)Cc1ccc(cc1)C(C)(C)C |r| Show InChI InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3/t15?,16-,17+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents	Article PubMed	0.0110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-pentazocine from sigma 1 opioid receptor in rat liver homogenate by liquid scintillation counting				ACS Med Chem Lett 2: 834-839 (2011) Article DOI: 10.1021/ml2001505 BindingDB Entry DOI: 10.7270/Q2RR208C
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50248926 (3-((1-(4-chlorobenzyl)piperidin-4-yl)methyl)benzo[...) Show SMILES Clc1ccc(CN2CCC(Cn3c4ccccc4oc3=O)CC2)cc1 Show InChI InChI=1S/C20H21ClN2O2/c21-17-7-5-15(6-8-17)13-22-11-9-16(10-12-22)14-23-18-3-1-2-4-19(18)25-20(23)24/h1-8,16H,9-14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0980	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Trieste Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting				J Med Chem 52: 5380-93 (2009) Article DOI: 10.1021/jm900366z BindingDB Entry DOI: 10.7270/Q2ZP4712
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50248926 (3-((1-(4-chlorobenzyl)piperidin-4-yl)methyl)benzo[...) Show SMILES Clc1ccc(CN2CCC(Cn3c4ccccc4oc3=O)CC2)cc1 Show InChI InChI=1S/C20H21ClN2O2/c21-17-7-5-15(6-8-17)13-22-11-9-16(10-12-22)14-23-18-3-1-2-4-19(18)25-20(23)24/h1-8,16H,9-14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0980	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-pentazocine from sigma 1 opioid receptor in rat liver homogenate by liquid scintillation counting				ACS Med Chem Lett 2: 834-839 (2011) Article DOI: 10.1021/ml2001505 BindingDB Entry DOI: 10.7270/Q2RR208C
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50248926 (3-((1-(4-chlorobenzyl)piperidin-4-yl)methyl)benzo[...) Show SMILES Clc1ccc(CN2CCC(Cn3c4ccccc4oc3=O)CC2)cc1 Show InChI InChI=1S/C20H21ClN2O2/c21-17-7-5-15(6-8-17)13-22-11-9-16(10-12-22)14-23-18-3-1-2-4-19(18)25-20(23)24/h1-8,16H,9-14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Trieste Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in rat liver membrane				Eur J Med Chem 44: 124-30 (2008) Article DOI: 10.1016/j.ejmech.2008.03.011 BindingDB Entry DOI: 10.7270/Q2639PHX
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50007410 (1-(4-Chloro-phenyl)-4-(3-phenyl-propyl)-piperazine...) Show SMILES Clc1ccc(cc1)N1CCN(CCCc2ccccc2)CC1 Show InChI InChI=1S/C19H23ClN2/c20-18-8-10-19(11-9-18)22-15-13-21(14-16-22)12-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-11H,4,7,12-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL 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
University of Maryland Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in rat brain after 120 mins by liquid scintillation counting analysis				Bioorg Med Chem Lett 23: 6920-6922 (2013) Article DOI: 10.1016/j.bmcl.2013.09.038 BindingDB Entry DOI: 10.7270/Q2J969B5
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50374600 (CHEMBL272899) Show SMILES CCCc1ccc2n(CCN3CCCCCC3)c(=O)sc2c1 Show InChI InChI=1S/C18H26N2OS/c1-2-7-15-8-9-16-17(14-15)22-18(21)20(16)13-12-19-10-5-3-4-6-11-19/h8-9,14H,2-7,10-13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by PDSP Ki Database					Assay Description Displacement of [3H](+)-pentazocine from opioid sigma1 receptor in rat brain homogenate				J Med Chem 51: 1482-6 (2008) Article DOI: 10.1021/jm701357m BindingDB Entry DOI: 10.7270/Q2736RTZ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50494706 (CHEMBL3093268) Show SMILES Clc1ccccc1N1CCN(CCc2ccccc2)CC1 Show InChI InChI=1S/C18H21ClN2/c19-17-8-4-5-9-18(17)21-14-12-20(13-15-21)11-10-16-6-2-1-3-7-16/h1-9H,10-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in rat brain after 120 mins by liquid scintillation counting analysis				Bioorg Med Chem Lett 23: 6920-6922 (2013) Article DOI: 10.1016/j.bmcl.2013.09.038 BindingDB Entry DOI: 10.7270/Q2J969B5
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50000066 ((2-Azepan-1-yl-ethyl)-[2-(3,4-dichloro-phenyl)-eth...) Show SMILES CN(CCN1CCCCCC1)CCc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C17H26Cl2N2/c1-20(12-13-21-9-4-2-3-5-10-21)11-8-15-6-7-16(18)17(19)14-15/h6-7,14H,2-5,8-13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago 60607-7061 Curated by ChEMBL					Assay Description Inhibition of [3H]-NANM binding to sigma receptor obtained from tissue homogenate preparation of fresh whole rat brain minus cerebellum				J Med Chem 41: 468-77 (1998) Article DOI: 10.1021/jm970059p BindingDB Entry DOI: 10.7270/Q27W6CW7
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50532486 (CHEMBL4564992) Show SMILES Cl.CN(CCOc1cc(COc2ccccc2)on1)C1CCCCC1 Show InChI InChI=1S/C19H26N2O3/c1-21(16-8-4-2-5-9-16)12-13-22-19-14-18(24-20-19)15-23-17-10-6-3-7-11-17/h3,6-7,10-11,14,16H,2,4-5,8-9,12-13,15H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Displacement of [3H]-pentazocine from rat brain sigma1 receptor by PDSP assay				J Med Chem 59: 6329-43 (2016) Article DOI: 10.1021/acs.jmedchem.6b00571 BindingDB Entry DOI: 10.7270/Q2K93C14
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50532486 (CHEMBL4564992) Show SMILES Cl.CN(CCOc1cc(COc2ccccc2)on1)C1CCCCC1 Show InChI InChI=1S/C19H26N2O3/c1-21(16-8-4-2-5-9-16)12-13-22-19-14-18(24-20-19)15-23-17-10-6-3-7-11-17/h3,6-7,10-11,14,16H,2,4-5,8-9,12-13,15H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Displacement of [3H]-pentazocine from rat brain sigma1 receptor by PDSP assay				J Med Chem 59: 6329-43 (2016) Article DOI: 10.1021/acs.jmedchem.6b00571 BindingDB Entry DOI: 10.7270/Q2K93C14
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM312233 (US9604926, Compound AZ-66 | US9724435, Compound AZ...) Show SMILES CC(CCCn1c2ccc(F)cc2sc1=O)N1CCN(CC1)C1CCCCC1 Show InChI InChI=1S/C22H32FN3OS/c1-17(24-12-14-25(15-13-24)19-7-3-2-4-8-19)6-5-11-26-20-10-9-18(23)16-21(20)28-22(26)27/h9-10,16-17,19H,2-8,11-15H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE UNIVERSITY OF MISSISSIPPI; THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY US Patent					Assay Description Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...				US Patent US9724435 (2017) BindingDB Entry DOI: 10.7270/Q2BZ6856
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50000069 (CHEMBL20377 | [2-(3,4-Dichloro-phenyl)-ethyl]-meth...) Show SMILES CN(CCN1CCCC1)CCc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C15H22Cl2N2/c1-18(10-11-19-7-2-3-8-19)9-6-13-4-5-14(16)15(17)12-13/h4-5,12H,2-3,6-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Tested for its binding affinity towards sigma-1 site in rat brain, using [3H](+)-3-PPP as radioligand				J Med Chem 37: 2285-91 (1994) BindingDB Entry DOI: 10.7270/Q29S1RPS
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50265433 (1-Isobutyl-4-phenylpiperidine-4-carbonitrile | CHE...) Show SMILES CC(C)CN1CCC(CC1)(C#N)c1ccccc1 Show InChI InChI=1S/C16H22N2/c1-14(2)12-18-10-8-16(13-17,9-11-18)15-6-4-3-5-7-15/h3-7,14H,8-12H2,1-2H3	PDB 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
University of Maryland Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 opioid receptor in rat brain cerebellum				Eur J Med Chem 43: 1304-8 (2008) Article DOI: 10.1016/j.ejmech.2007.09.026 BindingDB Entry DOI: 10.7270/Q2W37W3G
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50265436 (1-Phenylpropyl-4-phenylpiperidine-4-carbonitrile |...) Show SMILES N#CC1(CCN(CCCc2ccccc2)CC1)c1ccccc1 Show InChI InChI=1S/C21H24N2/c22-18-21(20-11-5-2-6-12-20)13-16-23(17-14-21)15-7-10-19-8-3-1-4-9-19/h1-6,8-9,11-12H,7,10,13-17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 opioid receptor in rat brain cerebellum				Eur J Med Chem 43: 1304-8 (2008) Article DOI: 10.1016/j.ejmech.2007.09.026 BindingDB Entry DOI: 10.7270/Q2W37W3G
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50058023 (4-(4-Bromo-phenoxymethyl)-1-(3-fluoro-propyl)-pipe...) Show SMILES FCCCN1CCC(COc2ccc(Br)cc2)CC1 Show InChI InChI=1S/C15H21BrFNO/c16-14-2-4-15(5-3-14)19-12-13-6-10-18(11-7-13)9-1-8-17/h2-5,13H,1,6-12H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ANSTO Curated by ChEMBL					Assay Description In vitro for binding affinity at sigma-1 receptor by measuring its ability to displace [3H]-(+)-pentazocine from guinea pig membranes				J Med Chem 40: 1657-67 (1997) Article DOI: 10.1021/jm960720+ BindingDB Entry DOI: 10.7270/Q29G5KX8
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50265434 (1-Benzyl-4-phenylpiperidine-4-carbonitrile | CHEMB...) Show SMILES N#CC1(CCN(Cc2ccccc2)CC1)c1ccccc1 Show InChI InChI=1S/C19H20N2/c20-16-19(18-9-5-2-6-10-18)11-13-21(14-12-19)15-17-7-3-1-4-8-17/h1-10H,11-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 opioid receptor in rat brain cerebellum				Eur J Med Chem 43: 1304-8 (2008) Article DOI: 10.1016/j.ejmech.2007.09.026 BindingDB Entry DOI: 10.7270/Q2W37W3G
					More data for this Ligand-Target Pair
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
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50532506 (CHEMBL4536431) Show SMILES Cl.CN(CCOc1cc(COc2ccccc2)on1)C1CCCC1 Show InChI InChI=1S/C18H24N2O3/c1-20(15-7-5-6-8-15)11-12-21-18-13-17(23-19-18)14-22-16-9-3-2-4-10-16/h2-4,9-10,13,15H,5-8,11-12,14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Displacement of [3H]-pentazocine from rat brain sigma1 receptor by PDSP assay				J Med Chem 59: 6329-43 (2016) Article DOI: 10.1021/acs.jmedchem.6b00571 BindingDB Entry DOI: 10.7270/Q2K93C14
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50532518 (CHEMBL4440420) Show SMILES Cl.CN(CCOc1cc(COc2cccc(Cl)c2)on1)C1CCCCC1 Show InChI InChI=1S/C19H25ClN2O3/c1-22(16-7-3-2-4-8-16)10-11-23-19-13-18(25-21-19)14-24-17-9-5-6-15(20)12-17/h5-6,9,12-13,16H,2-4,7-8,10-11,14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Displacement of [3H]-pentazocine from rat brain sigma1 receptor by PDSP assay				J Med Chem 59: 6329-43 (2016) Article DOI: 10.1021/acs.jmedchem.6b00571 BindingDB Entry DOI: 10.7270/Q2K93C14
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50532508 (CHEMBL4471576) Show SMILES Cl.CN(CCOc1cc(COc2cccc(F)c2)on1)C1CCCCC1 Show InChI InChI=1S/C19H25FN2O3/c1-22(16-7-3-2-4-8-16)10-11-23-19-13-18(25-21-19)14-24-17-9-5-6-15(20)12-17/h5-6,9,12-13,16H,2-4,7-8,10-11,14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Displacement of [3H]-pentazocine from rat brain sigma1 receptor by PDSP assay				J Med Chem 59: 6329-43 (2016) Article DOI: 10.1021/acs.jmedchem.6b00571 BindingDB Entry DOI: 10.7270/Q2K93C14
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50532518 (CHEMBL4440420) Show SMILES Cl.CN(CCOc1cc(COc2cccc(Cl)c2)on1)C1CCCCC1 Show InChI InChI=1S/C19H25ClN2O3/c1-22(16-7-3-2-4-8-16)10-11-23-19-13-18(25-21-19)14-24-17-9-5-6-15(20)12-17/h5-6,9,12-13,16H,2-4,7-8,10-11,14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Displacement of [3H]-pentazocine from rat brain sigma1 receptor by PDSP assay				J Med Chem 59: 6329-43 (2016) Article DOI: 10.1021/acs.jmedchem.6b00571 BindingDB Entry DOI: 10.7270/Q2K93C14
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50058007 (1-Cyclopropylmethyl-4-(4-iodo-phenoxymethyl)-piper...) Show SMILES Ic1ccc(OCC2CCN(CC3CC3)CC2)cc1 Show InChI InChI=1S/C16H22INO/c17-15-3-5-16(6-4-15)19-12-14-7-9-18(10-8-14)11-13-1-2-13/h3-6,13-14H,1-2,7-12H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ANSTO Curated by ChEMBL					Assay Description In vitro for binding affinity at sigma-1 receptor by measuring its ability to displace [3H]-(+)-pentazocine from guinea pig membranes				J Med Chem 40: 1657-67 (1997) Article DOI: 10.1021/jm960720+ BindingDB Entry DOI: 10.7270/Q29G5KX8
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50532508 (CHEMBL4471576) Show SMILES Cl.CN(CCOc1cc(COc2cccc(F)c2)on1)C1CCCCC1 Show InChI InChI=1S/C19H25FN2O3/c1-22(16-7-3-2-4-8-16)10-11-23-19-13-18(25-21-19)14-24-17-9-5-6-15(20)12-17/h5-6,9,12-13,16H,2-4,7-8,10-11,14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Displacement of [3H]-pentazocine from rat brain sigma1 receptor by PDSP assay				J Med Chem 59: 6329-43 (2016) Article DOI: 10.1021/acs.jmedchem.6b00571 BindingDB Entry DOI: 10.7270/Q2K93C14
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50532506 (CHEMBL4536431) Show SMILES Cl.CN(CCOc1cc(COc2ccccc2)on1)C1CCCC1 Show InChI InChI=1S/C18H24N2O3/c1-20(15-7-5-6-8-15)11-12-21-18-13-17(23-19-18)14-22-16-9-3-2-4-10-16/h2-4,9-10,13,15H,5-8,11-12,14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Displacement of [3H]-pentazocine from rat brain sigma1 receptor by PDSP assay				J Med Chem 59: 6329-43 (2016) Article DOI: 10.1021/acs.jmedchem.6b00571 BindingDB Entry DOI: 10.7270/Q2K93C14
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50064172 (1-benzylspiro[hexahydropyridine-4,2'-(3',4'-dihydr...) Show SMILES C(N1CCC2(CC1)CCc1ccccc1S2)c1ccccc1 Show InChI InChI=1S/C20H23NS/c1-2-6-17(7-3-1)16-21-14-12-20(13-15-21)11-10-18-8-4-5-9-19(18)22-20/h1-9H,10-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in rat liver membranes incubated for 60 mins in presence of [3H]DTG by radioactivity metho...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01192 BindingDB Entry DOI: 10.7270/Q2XD15CH
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50374600 (CHEMBL272899) Show SMILES CCCc1ccc2n(CCN3CCCCCC3)c(=O)sc2c1 Show InChI InChI=1S/C18H26N2OS/c1-2-7-15-8-9-16-17(14-15)22-18(21)20(16)13-12-19-10-5-3-4-6-11-19/h8-9,14H,2-7,10-13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from Sigma1 receptor in rat liver homogenate				J Med Chem 55: 8272-82 (2012) Article DOI: 10.1021/jm300371c BindingDB Entry DOI: 10.7270/Q2V40WB0
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50494707 (CHEMBL3093270) Show SMILES Clc1ccccc1N1CCN(CCCc2ccccc2)CC1 Show InChI InChI=1S/C19H23ClN2/c20-18-10-4-5-11-19(18)22-15-13-21(14-16-22)12-6-9-17-7-2-1-3-8-17/h1-5,7-8,10-11H,6,9,12-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	0.560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in rat brain after 120 mins by liquid scintillation counting analysis				Bioorg Med Chem Lett 23: 6920-6922 (2013) Article DOI: 10.1016/j.bmcl.2013.09.038 BindingDB Entry DOI: 10.7270/Q2J969B5
					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 (RAT)	BDBM312168 (US9604926, Compound CM-172 | US9724435, Compound C...) Show SMILES O=c1oc2ccccc2n1CCCCN1CCC(CC1)c1ccccc1 Show InChI InChI=1S/C22H26N2O2/c25-22-24(20-10-4-5-11-21(20)26-22)15-7-6-14-23-16-12-19(13-17-23)18-8-2-1-3-9-18/h1-5,8-11,19H,6-7,12-17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE UNIVERSITY OF MISSISSIPPI; THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY US Patent					Assay Description Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...				US Patent US9724435 (2017) BindingDB Entry DOI: 10.7270/Q2BZ6856
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50058010 (4-(4-Bromo-phenoxymethyl)-1-cyclopropylmethyl-pipe...) Show SMILES Brc1ccc(OCC2CCN(CC3CC3)CC2)cc1 Show InChI InChI=1S/C16H22BrNO/c17-15-3-5-16(6-4-15)19-12-14-7-9-18(10-8-14)11-13-1-2-13/h3-6,13-14H,1-2,7-12H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ANSTO Curated by ChEMBL					Assay Description In vitro for binding affinity at sigma-1 receptor by measuring its ability to displace [3H]-(+)-pentazocine from guinea pig membranes				J Med Chem 40: 1657-67 (1997) Article DOI: 10.1021/jm960720+ BindingDB Entry DOI: 10.7270/Q29G5KX8
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50532502 (CHEMBL4538923) Show SMILES Cl.CN1CCC[C@H]1COc1cc(COc2cccc(F)c2)on1 |r| Show InChI InChI=1S/C16H19FN2O3.ClH/c1-19-7-3-5-13(19)10-21-16-9-15(22-18-16)11-20-14-6-2-4-12(17)8-14;/h2,4,6,8-9,13H,3,5,7,10-11H2,1H3;1H/t13-;/m0./s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Displacement of [3H]-pentazocine from rat brain sigma1 receptor by PDSP assay				J Med Chem 59: 6329-43 (2016) Article DOI: 10.1021/acs.jmedchem.6b00571 BindingDB Entry DOI: 10.7270/Q2K93C14
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50532502 (CHEMBL4538923) Show SMILES Cl.CN1CCC[C@H]1COc1cc(COc2cccc(F)c2)on1 |r| Show InChI InChI=1S/C16H19FN2O3.ClH/c1-19-7-3-5-13(19)10-21-16-9-15(22-18-16)11-20-14-6-2-4-12(17)8-14;/h2,4,6,8-9,13H,3,5,7,10-11H2,1H3;1H/t13-;/m0./s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Displacement of [3H]-pentazocine from rat brain sigma1 receptor by PDSP assay				J Med Chem 59: 6329-43 (2016) Article DOI: 10.1021/acs.jmedchem.6b00571 BindingDB Entry DOI: 10.7270/Q2K93C14
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50058012 (4-[1-(4-Fluoro-benzyl)-piperidin-4-ylmethoxy]-benz...) Show SMILES Fc1ccc(CN2CCC(COc3ccc(cc3)C#N)CC2)cc1 Show InChI InChI=1S/C20H21FN2O/c21-19-5-1-17(2-6-19)14-23-11-9-18(10-12-23)15-24-20-7-3-16(13-22)4-8-20/h1-8,18H,9-12,14-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ANSTO Curated by ChEMBL					Assay Description In vitro for binding affinity at sigma-1 receptor by measuring its ability to displace [3H]-(+)-pentazocine from guinea pig membranes				J Med Chem 40: 1657-67 (1997) Article DOI: 10.1021/jm960720+ BindingDB Entry DOI: 10.7270/Q29G5KX8
					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 (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)	BDBM50532512 (CHEMBL4539105) Show SMILES Cl.CN(CCOc1cc(COc2ccccc2)on1)CC1CC1 Show InChI InChI=1S/C17H22N2O3/c1-19(12-14-7-8-14)9-10-20-17-11-16(22-18-17)13-21-15-5-3-2-4-6-15/h2-6,11,14H,7-10,12-13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Displacement of [3H]-pentazocine from rat brain sigma1 receptor by PDSP assay				J Med Chem 59: 6329-43 (2016) Article DOI: 10.1021/acs.jmedchem.6b00571 BindingDB Entry DOI: 10.7270/Q2K93C14
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50253754 (4-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)-N-m...) Show SMILES CNC(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H31ClN2O2/c1-30-26(32)28(23-8-4-2-5-9-23,24-10-6-3-7-11-24)18-21-31-19-16-27(33,17-20-31)22-12-14-25(29)15-13-22/h2-15,33H,16-21H2,1H3,(H,30,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Mental Health Curated by ChEMBL					Assay Description Displacement of [3H]Pentazocine from rat sigma 1 receptor in rat PC12 cells				J Med Chem 51: 6034-43 (2008) Article DOI: 10.1021/jm800510m BindingDB Entry DOI: 10.7270/Q2BV7GFM
					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)	BDBM50532512 (CHEMBL4539105) Show SMILES Cl.CN(CCOc1cc(COc2ccccc2)on1)CC1CC1 Show InChI InChI=1S/C17H22N2O3/c1-19(12-14-7-8-14)9-10-20-17-11-16(22-18-17)13-21-15-5-3-2-4-6-15/h2-6,11,14H,7-10,12-13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Displacement of [3H]-pentazocine from rat brain sigma1 receptor by PDSP assay				J Med Chem 59: 6329-43 (2016) Article DOI: 10.1021/acs.jmedchem.6b00571 BindingDB Entry DOI: 10.7270/Q2K93C14
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50047016 (1-(4-Fluoro-phenyl)-4-[4-hydroxy-4-(3-trifluoromet...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C22H23F4NO2/c23-19-8-6-16(7-9-19)20(28)5-2-12-27-13-10-21(29,11-14-27)17-3-1-4-18(15-17)22(24,25)26/h1,3-4,6-9,15,29H,2,5,10-14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Trieste Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting				J Med Chem 52: 5380-93 (2009) Article DOI: 10.1021/jm900366z BindingDB Entry DOI: 10.7270/Q2ZP4712
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50058008 (1-(2-Fluoro-ethyl)-4-(4-iodo-phenoxymethyl)-piperi...) Show SMILES FCCN1CCC(COc2ccc(I)cc2)CC1 Show InChI InChI=1S/C14H19FINO/c15-7-10-17-8-5-12(6-9-17)11-18-14-3-1-13(16)2-4-14/h1-4,12H,5-11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.840	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ANSTO Curated by ChEMBL					Assay Description In vitro for binding affinity at sigma-1 receptor by measuring its ability to displace [3H]-(+)-pentazocine from guinea pig membranes				J Med Chem 40: 1657-67 (1997) Article DOI: 10.1021/jm960720+ BindingDB Entry DOI: 10.7270/Q29G5KX8
					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 (RAT)	BDBM50058011 (4-(3-Bromo-phenoxymethyl)-1-cyclopropylmethyl-pipe...) Show SMILES Brc1cccc(OCC2CCN(CC3CC3)CC2)c1 Show InChI InChI=1S/C16H22BrNO/c17-15-2-1-3-16(10-15)19-12-14-6-8-18(9-7-14)11-13-4-5-13/h1-3,10,13-14H,4-9,11-12H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.880	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ANSTO Curated by ChEMBL					Assay Description In vitro for binding affinity at sigma-1 receptor by measuring its ability to displace [3H]-(+)-pentazocine from guinea pig membranes				J Med Chem 40: 1657-67 (1997) Article DOI: 10.1021/jm960720+ BindingDB Entry DOI: 10.7270/Q29G5KX8
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in rat brain homogenate				Bioorg Med Chem Lett 21: 3622-6 (2011) Article DOI: 10.1016/j.bmcl.2011.04.098 BindingDB Entry DOI: 10.7270/Q2ZS2WTH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50532507 (CHEMBL4593797) Show SMILES Cl.CN(CCOc1cc(COc2cccc(F)c2)on1)CC1CC1 Show InChI InChI=1S/C17H21FN2O3/c1-20(11-13-5-6-13)7-8-21-17-10-16(23-19-17)12-22-15-4-2-3-14(18)9-15/h2-4,9-10,13H,5-8,11-12H2,1H3	PDB UniProtKB/SwissProt 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
East China Normal University Curated by ChEMBL					Assay Description Displacement of [3H]-pentazocine from rat brain sigma1 receptor by PDSP assay				J Med Chem 59: 6329-43 (2016) Article DOI: 10.1021/acs.jmedchem.6b00571 BindingDB Entry DOI: 10.7270/Q2K93C14
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50532507 (CHEMBL4593797) Show SMILES Cl.CN(CCOc1cc(COc2cccc(F)c2)on1)CC1CC1 Show InChI InChI=1S/C17H21FN2O3/c1-20(11-13-5-6-13)7-8-21-17-10-16(23-19-17)12-22-15-4-2-3-14(18)9-15/h2-4,9-10,13H,5-8,11-12H2,1H3	PDB UniProtKB/SwissProt 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
East China Normal University Curated by ChEMBL					Assay Description Displacement of [3H]-pentazocine from rat brain sigma1 receptor by PDSP assay				J Med Chem 59: 6329-43 (2016) Article DOI: 10.1021/acs.jmedchem.6b00571 BindingDB Entry DOI: 10.7270/Q2K93C14
					More data for this Ligand-Target Pair
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
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50199806 (CHEMBL3944169 | US10913711, Compound 9a | US115550...) Show SMILES CC(O)CN1CCN(CCSC(c2ccccc2)c2ccccc2)CC1 Show InChI InChI=1S/C22H30N2OS/c1-19(25)18-24-14-12-23(13-15-24)16-17-26-22(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,19,22,25H,12-18H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	0.940	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description The uptake assays were carried out 2 days after transfection. Prior to the experiment, the cells were washed once in 500 ul of uptake buffer (25 mM 4...				J Med Chem 48: 7688-707 (2005) BindingDB Entry DOI: 10.7270/Q2PR7Z87
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM312167 (US9604926, Compound CM-171 | US9724435, Compound C...) Show SMILES O=c1oc2ccccc2n1CCCCN1CCN(CC2CCCCC2)CC1 Show InChI InChI=1S/C22H33N3O2/c26-22-25(20-10-4-5-11-21(20)27-22)13-7-6-12-23-14-16-24(17-15-23)18-19-8-2-1-3-9-19/h4-5,10-11,19H,1-3,6-9,12-18H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.940	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE UNIVERSITY OF MISSISSIPPI; THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY US Patent					Assay Description Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...				US Patent US9724435 (2017) BindingDB Entry DOI: 10.7270/Q2BZ6856
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50199806 (CHEMBL3944169 | US10913711, Compound 9a | US115550...) Show SMILES CC(O)CN1CCN(CCSC(c2ccccc2)c2ccccc2)CC1 Show InChI InChI=1S/C22H30N2OS/c1-19(25)18-24-14-12-23(13-15-24)16-17-26-22(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,19,22,25H,12-18H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	0.940	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES US Patent									US Patent US10913711 (2021) BindingDB Entry DOI: 10.7270/Q2F47S7B
					More data for this Ligand-Target Pair

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