Compile Data Set for Download or QSAR

Found 29 hits Enz. Inhib. hit(s) with all data for entry = 50028321   

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
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50125099 (1-Benzyl-4-(4-methoxy-benzyl)-piperazine | 1-benzy...) Show SMILES COc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C19H24N2O/c1-22-19-9-7-18(8-10-19)16-21-13-11-20(12-14-21)15-17-5-3-2-4-6-17/h2-10H,11-16H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut fur Pharmazeutische und Medizinische Chemie der Westfalischen Wilhelms-Universitat Munster Curated by ChEMBL					Assay Description Binding affinity to sigma 1 receptor (unknown origin)				J Med Chem 52: 2126-37 (2009) Article DOI: 10.1021/jm801522j BindingDB Entry DOI: 10.7270/Q2ZG6S4Q
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	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	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut fur Pharmazeutische und Medizinische Chemie der Westfalischen Wilhelms-Universitat Munster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane by scintillation analysis				J Med Chem 52: 2126-37 (2009) Article DOI: 10.1021/jm801522j BindingDB Entry DOI: 10.7270/Q2ZG6S4Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50035131 ((+)-(6R,11S)-6,11-dimethyl-3-(3-methyl-but-2-enyl)...) Show SMILES [#6]-[#6@@H]1-[#6@@H]-2-[#6]-c3ccc(-[#8])cc3[C@@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](/[#6])-[#6] |r,TLB:16:15:10.4.3:1| Show InChI InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut fur Pharmazeutische und Medizinische Chemie der Westfalischen Wilhelms-Universitat Munster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane by scintillation analysis				J Med Chem 52: 2126-37 (2009) Article DOI: 10.1021/jm801522j BindingDB Entry DOI: 10.7270/Q2ZG6S4Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50257493 ((R)-(1-benzyl-4-(4-methoxybenzyl)piperazin-2-yl)me...) Show SMILES COc1ccc(CN2CCN(Cc3ccccc3)[C@@H](CO)C2)cc1 |r| Show InChI InChI=1S/C20H26N2O2/c1-24-20-9-7-18(8-10-20)13-21-11-12-22(19(15-21)16-23)14-17-5-3-2-4-6-17/h2-10,19,23H,11-16H2,1H3/t19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut fur Pharmazeutische und Medizinische Chemie der Westfalischen Wilhelms-Universitat Munster Curated by ChEMBL					Assay Description Binding affinity to sigma 1 receptor (unknown origin)				J Med Chem 52: 2126-37 (2009) Article DOI: 10.1021/jm801522j BindingDB Entry DOI: 10.7270/Q2ZG6S4Q
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50257646 (6-benzyl-8-(4-methoxybenzyl)-6,8-diazabicyclo[3.2....) Show SMILES COc1ccc(CN2CC3CCC(=O)C2CN3Cc2ccccc2)cc1 |TLB:13:12:16.15:8.7,6:7:16.15:10.11.12,THB:17:16:8.7:10.11.12| Show InChI InChI=1S/C22H26N2O2/c1-26-20-10-7-18(8-11-20)14-24-15-19-9-12-22(25)21(24)16-23(19)13-17-5-3-2-4-6-17/h2-8,10-11,19,21H,9,12-16H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut fur Pharmazeutische und Medizinische Chemie der Westfalischen Wilhelms-Universitat Munster Curated by ChEMBL					Assay Description Binding affinity to sigma 1 receptor (unknown origin)				J Med Chem 52: 2126-37 (2009) Article DOI: 10.1021/jm801522j BindingDB Entry DOI: 10.7270/Q2ZG6S4Q
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM81982 (CAS_97-39-2 | DITOLYLGUANIDINE | DTG | Di-o-tolylg...) Show SMILES Cc1ccccc1NC(N)=Nc1ccccc1C |w:10.11| Show InChI InChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut fur Pharmazeutische und Medizinische Chemie der Westfalischen Wilhelms-Universitat Munster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane by scintillation analysis				J Med Chem 52: 2126-37 (2009) Article DOI: 10.1021/jm801522j BindingDB Entry DOI: 10.7270/Q2ZG6S4Q
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50258231 ((+)-(1S,2R,5R)-6-Allyl-2-benzyloxy-8-(4-methoxyben...) Show SMILES COc1ccc(CN2C[C@H]3CC[C@@H](OCc4ccccc4)[C@@H]2CN3CC=C)cc1 |r,TLB:13:12:23.22:8.7,6:7:23.22:10.11.12,THB:24:23:8.7:10.11.12| Show InChI InChI=1S/C25H32N2O2/c1-3-15-26-18-24-25(29-19-21-7-5-4-6-8-21)14-11-22(26)17-27(24)16-20-9-12-23(28-2)13-10-20/h3-10,12-13,22,24-25H,1,11,14-19H2,2H3/t22-,24+,25-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	91	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut fur Pharmazeutische und Medizinische Chemie der Westfalischen Wilhelms-Universitat Munster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane by scintillation analysis				J Med Chem 52: 2126-37 (2009) Article DOI: 10.1021/jm801522j BindingDB Entry DOI: 10.7270/Q2ZG6S4Q
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50258050 ((+)-(1R,5R,Z)-6-Allyl-2-benzylidene-8-(4-methoxybe...) Show SMILES COc1ccc(CN2C[C@H]3CC\C(=C\c4ccccc4)[C@@H]2CN3CC=C)cc1 |r,TLB:13:12:22.21:8.7,6:7:22.21:12.10.11,THB:23:22:12.10.11:8.7| Show InChI InChI=1S/C25H30N2O/c1-3-15-26-19-25-22(16-20-7-5-4-6-8-20)11-12-23(26)18-27(25)17-21-9-13-24(28-2)14-10-21/h3-10,13-14,16,23,25H,1,11-12,15,17-19H2,2H3/b22-16-/t23-,25+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	104	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut fur Pharmazeutische und Medizinische Chemie der Westfalischen Wilhelms-Universitat Munster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane by scintillation analysis				J Med Chem 52: 2126-37 (2009) Article DOI: 10.1021/jm801522j BindingDB Entry DOI: 10.7270/Q2ZG6S4Q
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50258230 ((-)-(1R,2S,5S)-6-Allyl-2-benzyloxy-8-(4-methoxyben...) Show SMILES COc1ccc(CN2C[C@@H]3CC[C@H](OCc4ccccc4)[C@H]2CN3CC=C)cc1 |r,TLB:13:12:23.22:8.7,6:7:23.22:10.11.12,THB:24:23:8.7:10.11.12| Show InChI InChI=1S/C25H32N2O2/c1-3-15-26-18-24-25(29-19-21-7-5-4-6-8-21)14-11-22(26)17-27(24)16-20-9-12-23(28-2)13-10-20/h3-10,12-13,22,24-25H,1,11,14-19H2,2H3/t22-,24+,25-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	154	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut fur Pharmazeutische und Medizinische Chemie der Westfalischen Wilhelms-Universitat Munster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane by scintillation analysis				J Med Chem 52: 2126-37 (2009) Article DOI: 10.1021/jm801522j BindingDB Entry DOI: 10.7270/Q2ZG6S4Q
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50258095 ((+)-(1R,5R,Z)-6-Allyl-2-benzylidene-8-(2,4-dimetho...) Show SMILES COc1ccc(CN2C[C@H]3CC\C(=C\c4ccccc4)[C@@H]2CN3CC=C)c(OC)c1 |r,TLB:13:12:22.21:8.7,6:7:22.21:12.10.11,THB:23:22:12.10.11:8.7| Show InChI InChI=1S/C26H32N2O2/c1-4-14-27-19-25-21(15-20-8-6-5-7-9-20)10-12-23(27)18-28(25)17-22-11-13-24(29-2)16-26(22)30-3/h4-9,11,13,15-16,23,25H,1,10,12,14,17-19H2,2-3H3/b21-15-/t23-,25+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut fur Pharmazeutische und Medizinische Chemie der Westfalischen Wilhelms-Universitat Munster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane by scintillation analysis				J Med Chem 52: 2126-37 (2009) Article DOI: 10.1021/jm801522j BindingDB Entry DOI: 10.7270/Q2ZG6S4Q
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50258189 ((+)-(1R,2R,5S)-6-Allyl-2-benzyloxy-8-(4-methoxyben...) Show SMILES COc1ccc(CN2C[C@@H]3CC[C@@H](OCc4ccccc4)[C@H]2CN3CC=C)cc1 |r,TLB:13:12:23.22:8.7,6:7:23.22:10.11.12,THB:24:23:8.7:10.11.12| Show InChI InChI=1S/C25H32N2O2/c1-3-15-26-18-24-25(29-19-21-7-5-4-6-8-21)14-11-22(26)17-27(24)16-20-9-12-23(28-2)13-10-20/h3-10,12-13,22,24-25H,1,11,14-19H2,2H3/t22-,24+,25+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	366	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut fur Pharmazeutische und Medizinische Chemie der Westfalischen Wilhelms-Universitat Munster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane by scintillation analysis				J Med Chem 52: 2126-37 (2009) Article DOI: 10.1021/jm801522j BindingDB Entry DOI: 10.7270/Q2ZG6S4Q
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50413404 (CHEMBL2021503) Show SMILES COc1ccc(CN2C[C@@H]3CC[C@H](COc4ccccc4)[C@H]2CN3CC=C)c(OC)c1 |r,TLB:6:7:12.11.10:23.22,13:12:7.8:23.22,THB:24:23:7.8:12.11.10| Show InChI InChI=1S/C26H34N2O3/c1-4-14-27-18-25-21(19-31-23-8-6-5-7-9-23)10-12-22(27)17-28(25)16-20-11-13-24(29-2)15-26(20)30-3/h4-9,11,13,15,21-22,25H,1,10,12,14,16-19H2,2-3H3/t21-,22+,25-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	385	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut fur Pharmazeutische und Medizinische Chemie der Westfalischen Wilhelms-Universitat Munster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane by scintillation analysis				J Med Chem 52: 2126-37 (2009) Article DOI: 10.1021/jm801522j BindingDB Entry DOI: 10.7270/Q2ZG6S4Q
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50258094 ((-)-(1S,5S,Z)-6-Allyl-2-benzylidene-8-(2,4-dimetho...) Show SMILES COc1ccc(CN2C[C@@H]3CC\C(=C\c4ccccc4)[C@H]2CN3CC=C)c(OC)c1 |r,TLB:13:12:22.21:8.7,6:7:22.21:12.10.11,THB:23:22:12.10.11:8.7| Show InChI InChI=1S/C26H32N2O2/c1-4-14-27-19-25-21(15-20-8-6-5-7-9-20)10-12-23(27)18-28(25)17-22-11-13-24(29-2)16-26(22)30-3/h4-9,11,13,15-16,23,25H,1,10,12,14,17-19H2,2-3H3/b21-15-/t23-,25+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	465	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut fur Pharmazeutische und Medizinische Chemie der Westfalischen Wilhelms-Universitat Munster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane by scintillation analysis				J Med Chem 52: 2126-37 (2009) Article DOI: 10.1021/jm801522j BindingDB Entry DOI: 10.7270/Q2ZG6S4Q
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50258190 ((-)-(1S,2S,5R)-6-Allyl-2-benzyloxy-8-(4-methoxyben...) Show SMILES COc1ccc(CN2C[C@H]3CC[C@H](OCc4ccccc4)[C@@H]2CN3CC=C)cc1 |r,TLB:13:12:23.22:8.7,6:7:23.22:10.11.12,THB:24:23:8.7:10.11.12| Show InChI InChI=1S/C25H32N2O2/c1-3-15-26-18-24-25(29-19-21-7-5-4-6-8-21)14-11-22(26)17-27(24)16-20-9-12-23(28-2)13-10-20/h3-10,12-13,22,24-25H,1,11,14-19H2,2H3/t22-,24+,25+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.04E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut fur Pharmazeutische und Medizinische Chemie der Westfalischen Wilhelms-Universitat Munster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane by scintillation analysis				J Med Chem 52: 2126-37 (2009) Article DOI: 10.1021/jm801522j BindingDB Entry DOI: 10.7270/Q2ZG6S4Q
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50258049 ((-)-(1S,5S,Z)-6-Allyl-2-benzylidene-8-(4-methoxybe...) Show SMILES COc1ccc(CN2C[C@@H]3CC\C(=C\c4ccccc4)[C@H]2CN3CC=C)cc1 |r,TLB:13:12:22.21:8.7,6:7:22.21:12.10.11,THB:23:22:12.10.11:8.7| Show InChI InChI=1S/C25H30N2O/c1-3-15-26-19-25-22(16-20-7-5-4-6-8-20)11-12-23(26)18-27(25)17-21-9-13-24(28-2)14-10-21/h3-10,13-14,16,23,25H,1,11-12,15,17-19H2,2H3/b22-16-/t23-,25+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut fur Pharmazeutische und Medizinische Chemie der Westfalischen Wilhelms-Universitat Munster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane by scintillation analysis				J Med Chem 52: 2126-37 (2009) Article DOI: 10.1021/jm801522j BindingDB Entry DOI: 10.7270/Q2ZG6S4Q
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50413405 (CHEMBL2021504) Show SMILES COc1ccc(CN2C[C@H]3CC[C@@H](COc4ccccc4)[C@@H]2CN3CC=C)c(OC)c1 |r,TLB:6:7:12.11.10:23.22,13:12:7.8:23.22,THB:24:23:7.8:12.11.10| Show InChI InChI=1S/C26H34N2O3/c1-4-14-27-18-25-21(19-31-23-8-6-5-7-9-23)10-12-22(27)17-28(25)16-20-11-13-24(29-2)15-26(20)30-3/h4-9,11,13,15,21-22,25H,1,10,12,14,16-19H2,2-3H3/t21-,22+,25-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.27E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut fur Pharmazeutische und Medizinische Chemie der Westfalischen Wilhelms-Universitat Munster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane by scintillation analysis				J Med Chem 52: 2126-37 (2009) Article DOI: 10.1021/jm801522j BindingDB Entry DOI: 10.7270/Q2ZG6S4Q
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50258047 ((+)-(1R,2S,5S)-6-Allyl-8-(2,4-dimethoxybenzyl)-2-p...) Show SMILES COc1ccc(CN2C[C@@H]3CC[C@H](Oc4ccccc4)[C@H]2CN3CC=C)c(OC)c1 |r,TLB:6:7:22.21:10.11.12,13:12:22.21:8.7,THB:23:22:8.7:10.11.12| Show InChI InChI=1S/C25H32N2O3/c1-4-14-26-18-23-24(30-21-8-6-5-7-9-21)13-11-20(26)17-27(23)16-19-10-12-22(28-2)15-25(19)29-3/h4-10,12,15,20,23-24H,1,11,13-14,16-18H2,2-3H3/t20-,23+,24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.58E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut fur Pharmazeutische und Medizinische Chemie der Westfalischen Wilhelms-Universitat Munster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane by scintillation analysis				J Med Chem 52: 2126-37 (2009) Article DOI: 10.1021/jm801522j BindingDB Entry DOI: 10.7270/Q2ZG6S4Q
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50257647 (6-allyl-8-(4-methoxybenzyl)-6,8-diazabicyclo[3.2.2...) Show SMILES COc1ccc(CN2CC3CCC(=O)C2CN3CC=C)cc1 |TLB:13:12:16.15:8.7,6:7:16.15:10.11.12,THB:17:16:8.7:10.11.12| Show InChI InChI=1S/C18H24N2O2/c1-3-10-19-13-17-18(21)9-6-15(19)12-20(17)11-14-4-7-16(22-2)8-5-14/h3-5,7-8,15,17H,1,6,9-13H2,2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut fur Pharmazeutische und Medizinische Chemie der Westfalischen Wilhelms-Universitat Munster Curated by ChEMBL					Assay Description Binding affinity to sigma 1 receptor (unknown origin)				J Med Chem 52: 2126-37 (2009) Article DOI: 10.1021/jm801522j BindingDB Entry DOI: 10.7270/Q2ZG6S4Q
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50413408 (CHEMBL2021510) Show SMILES COc1ccc(CN2C[C@H]3CC[C@@H](COc4ccccc4)[C@@H]2CN3CC=C)cc1 |r,TLB:6:7:12.11.10:23.22,13:12:7.8:23.22,THB:24:23:7.8:12.11.10| Show InChI InChI=1S/C25H32N2O2/c1-3-15-26-18-25-21(19-29-24-7-5-4-6-8-24)11-12-22(26)17-27(25)16-20-9-13-23(28-2)14-10-20/h3-10,13-14,21-22,25H,1,11-12,15-19H2,2H3/t21-,22+,25-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.62E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut fur Pharmazeutische und Medizinische Chemie der Westfalischen Wilhelms-Universitat Munster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane by scintillation analysis				J Med Chem 52: 2126-37 (2009) Article DOI: 10.1021/jm801522j BindingDB Entry DOI: 10.7270/Q2ZG6S4Q
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50257844 ((+)-(1S,4R)-12-Allyl-2-(2,4-dimethoxybenzyl)-6-met...) Show SMILES COc1ccc(CN2C[C@H]3Cc4c(C)c5ccccc5nc4[C@@H]2CN3CC=C)c(OC)c1 |r,TLB:20:21:24.23:8.7,12:11:24.23:8.7,6:7:24.23:10.11.21,THB:25:24:8.7:10.11.21| Show InChI InChI=1S/C27H31N3O2/c1-5-12-29-17-25-27-23(18(2)22-8-6-7-9-24(22)28-27)13-20(29)16-30(25)15-19-10-11-21(31-3)14-26(19)32-4/h5-11,14,20,25H,1,12-13,15-17H2,2-4H3/t20-,25+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.63E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut fur Pharmazeutische und Medizinische Chemie der Westfalischen Wilhelms-Universitat Munster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane by scintillation analysis				J Med Chem 52: 2126-37 (2009) Article DOI: 10.1021/jm801522j BindingDB Entry DOI: 10.7270/Q2ZG6S4Q
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50257793 ((-)-(1R,4S)-12-Allyl-2-(4-methoxybenzyl)-6-methyl-...) Show SMILES COc1ccc(CN2C[C@@H]3Cc4c(C)c5ccccc5nc4[C@H]2CN3CC=C)cc1 |r,TLB:20:21:24.23:8.7,12:11:24.23:8.7,6:7:24.23:10.11.21,THB:25:24:8.7:10.11.21| Show InChI InChI=1S/C26H29N3O/c1-4-13-28-17-25-26-23(18(2)22-7-5-6-8-24(22)27-26)14-20(28)16-29(25)15-19-9-11-21(30-3)12-10-19/h4-12,20,25H,1,13-17H2,2-3H3/t20-,25+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.63E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut fur Pharmazeutische und Medizinische Chemie der Westfalischen Wilhelms-Universitat Munster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane by scintillation analysis				J Med Chem 52: 2126-37 (2009) Article DOI: 10.1021/jm801522j BindingDB Entry DOI: 10.7270/Q2ZG6S4Q
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50413406 (CHEMBL2021505) Show SMILES COc1ccc(CN2C[C@@H]3CC[C@@H](COc4ccccc4)[C@H]2CN3CC=C)cc1 |r,TLB:6:7:12.11.10:23.22,13:12:7.8:23.22,THB:24:23:7.8:12.11.10| Show InChI InChI=1S/C25H32N2O2/c1-3-15-26-18-25-21(19-29-24-7-5-4-6-8-24)11-12-22(26)17-27(25)16-20-9-13-23(28-2)14-10-20/h3-10,13-14,21-22,25H,1,11-12,15-19H2,2H3/t21-,22-,25+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.12E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut fur Pharmazeutische und Medizinische Chemie der Westfalischen Wilhelms-Universitat Munster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane by scintillation analysis				J Med Chem 52: 2126-37 (2009) Article DOI: 10.1021/jm801522j BindingDB Entry DOI: 10.7270/Q2ZG6S4Q
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50257543 ((2S)-6-allyl-8-(4-methoxybenzyl)-6,8-diazabicyclo[...) Show SMILES COc1ccc(CN2CC3CC[C@H](O)C2CN3CC=C)cc1 |r,TLB:13:12:16.15:8.7,6:7:16.15:10.11.12,THB:17:16:8.7:10.11.12| Show InChI InChI=1S/C18H26N2O2/c1-3-10-19-13-17-18(21)9-6-15(19)12-20(17)11-14-4-7-16(22-2)8-5-14/h3-5,7-8,15,17-18,21H,1,6,9-13H2,2H3/t15?,17?,18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.24E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut fur Pharmazeutische und Medizinische Chemie der Westfalischen Wilhelms-Universitat Munster Curated by ChEMBL					Assay Description Binding affinity to sigma 1 receptor (unknown origin)				J Med Chem 52: 2126-37 (2009) Article DOI: 10.1021/jm801522j BindingDB Entry DOI: 10.7270/Q2ZG6S4Q
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50258048 ((-)-(1S,2R,5R)-6-Allyl-8-(2,4-dimethoxybenzyl)-2-p...) Show SMILES COc1ccc(CN2C[C@H]3CC[C@@H](Oc4ccccc4)[C@@H]2CN3CC=C)c(OC)c1 |r,TLB:6:7:22.21:10.11.12,13:12:22.21:8.7,THB:23:22:8.7:10.11.12| Show InChI InChI=1S/C25H32N2O3/c1-4-14-26-18-23-24(30-21-8-6-5-7-9-21)13-11-20(26)17-27(23)16-19-10-12-22(28-2)15-25(19)29-3/h4-10,12,15,20,23-24H,1,11,13-14,16-18H2,2-3H3/t20-,23+,24-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.84E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut fur Pharmazeutische und Medizinische Chemie der Westfalischen Wilhelms-Universitat Munster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane by scintillation analysis				J Med Chem 52: 2126-37 (2009) Article DOI: 10.1021/jm801522j BindingDB Entry DOI: 10.7270/Q2ZG6S4Q
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50257996 ((+)-(1R,2R,5S)-6-Allyl-8-(2,4-dimethoxybenzyl)-2-p...) Show SMILES COc1ccc(CN2C[C@@H]3CC[C@@H](Oc4ccccc4)[C@H]2CN3CC=C)c(OC)c1 |r,TLB:6:7:22.21:10.11.12,13:12:22.21:8.7,THB:23:22:8.7:10.11.12| Show InChI InChI=1S/C25H32N2O3/c1-4-14-26-18-23-24(30-21-8-6-5-7-9-21)13-11-20(26)17-27(23)16-19-10-12-22(28-2)15-25(19)29-3/h4-10,12,15,20,23-24H,1,11,13-14,16-18H2,2-3H3/t20-,23+,24+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.05E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut fur Pharmazeutische und Medizinische Chemie der Westfalischen Wilhelms-Universitat Munster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane by scintillation analysis				J Med Chem 52: 2126-37 (2009) Article DOI: 10.1021/jm801522j BindingDB Entry DOI: 10.7270/Q2ZG6S4Q
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50257796 ((-)-(1R,4S)-12-Allyl-2-(2,4-dimethoxybenzyl)-6-met...) Show SMILES COc1ccc(CN2C[C@@H]3Cc4c(C)c5ccccc5nc4[C@H]2CN3CC=C)c(OC)c1 |r,TLB:20:21:24.23:8.7,12:11:24.23:8.7,6:7:24.23:10.11.21,THB:25:24:8.7:10.11.21| Show InChI InChI=1S/C27H31N3O2/c1-5-12-29-17-25-27-23(18(2)22-8-6-7-9-24(22)28-27)13-20(29)16-30(25)15-19-10-11-21(31-3)14-26(19)32-4/h5-11,14,20,25H,1,12-13,15-17H2,2-4H3/t20-,25+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.46E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut fur Pharmazeutische und Medizinische Chemie der Westfalischen Wilhelms-Universitat Munster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane by scintillation analysis				J Med Chem 52: 2126-37 (2009) Article DOI: 10.1021/jm801522j BindingDB Entry DOI: 10.7270/Q2ZG6S4Q
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50413407 (CHEMBL2021509) Show SMILES COc1ccc(CN2C[C@@H]3CC[C@H](COc4ccccc4)[C@H]2CN3CC=C)cc1 |r,TLB:6:7:12.11.10:23.22,13:12:7.8:23.22,THB:24:23:7.8:12.11.10| Show InChI InChI=1S/C25H32N2O2/c1-3-15-26-18-25-21(19-29-24-7-5-4-6-8-24)11-12-22(26)17-27(25)16-20-9-13-23(28-2)14-10-20/h3-10,13-14,21-22,25H,1,11-12,15-19H2,2H3/t21-,22+,25-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.46E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut fur Pharmazeutische und Medizinische Chemie der Westfalischen Wilhelms-Universitat Munster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane by scintillation analysis				J Med Chem 52: 2126-37 (2009) Article DOI: 10.1021/jm801522j BindingDB Entry DOI: 10.7270/Q2ZG6S4Q
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50258187 ((+)-(1R,4S)-11-Allyl-2-(2,4-dimethoxybenzyl)-7-met...) Show SMILES COc1ccc(CN2C[C@@H]3Cc4c([nH]c5ccc(OC)cc45)[C@H]2CN3CC=C)c(OC)c1 |r,TLB:13:12:24.23:8.7,21:11:24.23:8.7,6:7:24.23:10.11.12,THB:25:24:8.7:10.11.12| Show InChI InChI=1S/C26H31N3O3/c1-5-10-28-16-24-26-22(21-12-19(30-2)8-9-23(21)27-26)11-18(28)15-29(24)14-17-6-7-20(31-3)13-25(17)32-4/h5-9,12-13,18,24,27H,1,10-11,14-16H2,2-4H3/t18-,24+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.35E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut fur Pharmazeutische und Medizinische Chemie der Westfalischen Wilhelms-Universitat Munster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane by scintillation analysis				J Med Chem 52: 2126-37 (2009) Article DOI: 10.1021/jm801522j BindingDB Entry DOI: 10.7270/Q2ZG6S4Q
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50258146 ((+)-(1R,4S)-11-Allyl-7-methoxy-2-(4-methoxybenzyl)...) Show SMILES COc1ccc(CN2C[C@@H]3Cc4c([nH]c5ccc(OC)cc45)[C@H]2CN3CC=C)cc1 |r,TLB:13:12:24.23:8.7,21:11:24.23:8.7,6:7:24.23:10.11.12,THB:25:24:8.7:10.11.12| Show InChI InChI=1S/C25H29N3O2/c1-4-11-27-16-24-25-22(21-13-20(30-3)9-10-23(21)26-25)12-18(27)15-28(24)14-17-5-7-19(29-2)8-6-17/h4-10,13,18,24,26H,1,11-12,14-16H2,2-3H3/t18-,24+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.05E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut fur Pharmazeutische und Medizinische Chemie der Westfalischen Wilhelms-Universitat Munster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane by scintillation analysis				J Med Chem 52: 2126-37 (2009) Article DOI: 10.1021/jm801522j BindingDB Entry DOI: 10.7270/Q2ZG6S4Q
					More data for this Ligand-Target Pair