Compile Data Set for Download or QSAR

Found 78 hits with Last Name = 'grünert' and Initial = 'r'   

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))	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 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 für Pharmazeutische und Medizinische Chemie der Westfälischen Wilhelms-Universität Münster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from opioid sigma1 receptor in guinea pig brain homogenate				Bioorg Med Chem 17: 777-93 (2009) Article DOI: 10.1016/j.bmc.2008.11.043 BindingDB Entry DOI: 10.7270/Q2CF9PX9
					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	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University M£nster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane				J Med Chem 50: 6144-53 (2007) Article DOI: 10.1021/jm070620b BindingDB Entry DOI: 10.7270/Q28K79XF
					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	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University M£nster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane				J Med Chem 50: 6144-53 (2007) Article DOI: 10.1021/jm070620b BindingDB Entry DOI: 10.7270/Q28K79XF
					More data for this Ligand-Target Pair				3D Structure (crystal)
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 f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 opioid receptor in guinea pig brain by solid scintillation counting				Bioorg Med Chem 17: 1445-55 (2009) Article DOI: 10.1016/j.bmc.2009.01.012 BindingDB Entry DOI: 10.7270/Q23T9J53
					More data for this Ligand-Target Pair				3D Structure (crystal)
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))	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 für Pharmazeutische und Medizinische Chemie der Westfälischen Wilhelms-Universität Münster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from opioid sigma1 receptor in guinea pig brain homogenate				Bioorg Med Chem 17: 777-93 (2009) Article DOI: 10.1016/j.bmc.2008.11.043 BindingDB Entry DOI: 10.7270/Q2CF9PX9
					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 f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 opioid receptor in guinea pig brain by solid scintillation counting				Bioorg Med Chem 17: 1445-55 (2009) Article DOI: 10.1016/j.bmc.2009.01.012 BindingDB Entry DOI: 10.7270/Q23T9J53
					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 für Pharmazeutische und Medizinische Chemie der Westfälischen Wilhelms-Universität Münster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from opioid sigma1 receptor in guinea pig brain homogenate				Bioorg Med Chem 17: 777-93 (2009) Article DOI: 10.1016/j.bmc.2008.11.043 BindingDB Entry DOI: 10.7270/Q2CF9PX9
					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 (Cavia porcellus (Guinea pig))	BDBM50225871 ((+)-(1R,2R,5S)-6-Benzyl-8-(4-methoxybenzyl)-6,8-di...) Show SMILES COc1ccc(CN2C[C@@H]3CC[C@@H](O)[C@H]2CN3Cc2ccccc2)cc1 |r,TLB:6:7:16.15:10.11.12,13:12:16.15:8.7,THB:17:16:8.7:10.11.12| Show InChI InChI=1S/C22H28N2O2/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/h2-8,10-11,19,21-22,25H,9,12-16H2,1H3/t19-,21+,22+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Pharmazeutische und Medizinische Chemie der Westfälischen Wilhelms-Universität Münster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from opioid sigma1 receptor in guinea pig brain homogenate				Bioorg Med Chem 17: 777-93 (2009) Article DOI: 10.1016/j.bmc.2008.11.043 BindingDB Entry DOI: 10.7270/Q2CF9PX9
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50225871 ((+)-(1R,2R,5S)-6-Benzyl-8-(4-methoxybenzyl)-6,8-di...) Show SMILES COc1ccc(CN2C[C@@H]3CC[C@@H](O)[C@H]2CN3Cc2ccccc2)cc1 |r,TLB:6:7:16.15:10.11.12,13:12:16.15:8.7,THB:17:16:8.7:10.11.12| Show InChI InChI=1S/C22H28N2O2/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/h2-8,10-11,19,21-22,25H,9,12-16H2,1H3/t19-,21+,22+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University M£nster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane				J Med Chem 50: 6144-53 (2007) Article DOI: 10.1021/jm070620b BindingDB Entry DOI: 10.7270/Q28K79XF
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50225870 ((-)-(1S,2S,5R)-6-benzyl-8-(4-methoxybenzyl)-6,8-di...) Show SMILES COc1ccc(CN2C[C@H]3CC[C@H](O)[C@@H]2CN3Cc2ccccc2)cc1 |TLB:6:7:16.15:10.11.12,13:12:16.15:8.7| Show InChI InChI=1S/C22H28N2O2/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/h2-8,10-11,19,21-22,25H,9,12-16H2,1H3/t19-,21+,22+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University M£nster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane				J Med Chem 50: 6144-53 (2007) Article DOI: 10.1021/jm070620b BindingDB Entry DOI: 10.7270/Q28K79XF
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50274914 ((+)-(1S,5S)-6-allyl-8-(4-methoxybenzyl)-6,8-diazab...) Show SMILES COc1ccc(CN2C[C@@H]3CCC[C@H]2CN3CC=C)cc1 |r,TLB:6:7:15.14:10.11.12,THB:16:15:8.7:10.11.12| Show InChI InChI=1S/C18H26N2O/c1-3-11-19-13-17-6-4-5-16(19)14-20(17)12-15-7-9-18(21-2)10-8-15/h3,7-10,16-17H,1,4-6,11-14H2,2H3/t16-,17-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Pharmazeutische und Medizinische Chemie der Westfälischen Wilhelms-Universität Münster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from opioid sigma1 receptor in guinea pig brain homogenate				Bioorg Med Chem 17: 777-93 (2009) Article DOI: 10.1016/j.bmc.2008.11.043 BindingDB Entry DOI: 10.7270/Q2CF9PX9
					More data for this Ligand-Target Pair
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 (Cavia porcellus (Guinea pig))	BDBM50276229 ((+)-(1S,5R)-8-(4-Methoxybenzyl)-6-(3-methylbut-2-e...) Show SMILES [#6]-[#8]-c1ccc(-[#6]-[#7]-2-[#6]-[#6@H]-3-[#6]-[#6]-[#6](=O)-[#6@@H]-2-[#6]-[#7]-3-[#6]\[#6]=[#6](\[#6])-[#6])cc1 |r,TLB:13:12:7.8:16.15,6:7:16.15:10.11.12,THB:17:16:7.8:10.11.12| Show InChI InChI=1S/C20H28N2O2/c1-15(2)10-11-21-14-19-20(23)9-6-17(21)13-22(19)12-16-4-7-18(24-3)8-5-16/h4-5,7-8,10,17,19H,6,9,11-14H2,1-3H3/t17-,19+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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 sigma1 opioid receptor in guinea pig brain by solid scintillation counting				Bioorg Med Chem 17: 1445-55 (2009) Article DOI: 10.1016/j.bmc.2009.01.012 BindingDB Entry DOI: 10.7270/Q23T9J53
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50276228 ((-)-(1R,5S)-8-(4-Methoxybenzyl)-6-(3-methylbut-2-e...) Show SMILES [#6]-[#8]-c1ccc(-[#6]-[#7]-2-[#6]-[#6@@H]-3-[#6]-[#6]-[#6](=O)-[#6@H]-2-[#6]-[#7]-3-[#6]\[#6]=[#6](\[#6])-[#6])cc1 |r,TLB:13:12:7.8:16.15,6:7:16.15:10.11.12,THB:17:16:7.8:10.11.12| Show InChI InChI=1S/C20H28N2O2/c1-15(2)10-11-21-14-19-20(23)9-6-17(21)13-22(19)12-16-4-7-18(24-3)8-5-16/h4-5,7-8,10,17,19H,6,9,11-14H2,1-3H3/t17-,19+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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 sigma1 opioid receptor in guinea pig brain by solid scintillation counting				Bioorg Med Chem 17: 1445-55 (2009) Article DOI: 10.1016/j.bmc.2009.01.012 BindingDB Entry DOI: 10.7270/Q23T9J53
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50225873 ((-)-(1R,2S,5S)-6-benzyl-2-methoxy-8-(4-methoxybenz...) Show SMILES CO[C@H]1CC[C@H]2CN(Cc3ccc(OC)cc3)[C@@H]1CN2Cc1ccccc1 |TLB:8:7:19.18:4.3.2,1:2:19.18:6.7| Show InChI InChI=1S/C23H30N2O2/c1-26-21-11-8-19(9-12-21)15-25-16-20-10-13-23(27-2)22(25)17-24(20)14-18-6-4-3-5-7-18/h3-9,11-12,20,22-23H,10,13-17H2,1-2H3/t20-,22+,23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University M£nster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane				J Med Chem 50: 6144-53 (2007) Article DOI: 10.1021/jm070620b BindingDB Entry DOI: 10.7270/Q28K79XF
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50225867 ((+)-(1R,2R,5S)-6-benzyl-2-methoxy-8-(4-methoxybenz...) Show SMILES CO[C@@H]1CC[C@H]2CN(Cc3ccc(OC)cc3)[C@@H]1CN2Cc1ccccc1 |r,TLB:8:7:19.18:4.3.2,1:2:19.18:6.7,20:19:6.7:4.3.2| Show InChI InChI=1S/C23H30N2O2/c1-26-21-11-8-19(9-12-21)15-25-16-20-10-13-23(27-2)22(25)17-24(20)14-18-6-4-3-5-7-18/h3-9,11-12,20,22-23H,10,13-17H2,1-2H3/t20-,22+,23+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University M£nster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane				J Med Chem 50: 6144-53 (2007) Article DOI: 10.1021/jm070620b BindingDB Entry DOI: 10.7270/Q28K79XF
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50225867 ((+)-(1R,2R,5S)-6-benzyl-2-methoxy-8-(4-methoxybenz...) Show SMILES CO[C@@H]1CC[C@H]2CN(Cc3ccc(OC)cc3)[C@@H]1CN2Cc1ccccc1 |r,TLB:8:7:19.18:4.3.2,1:2:19.18:6.7,20:19:6.7:4.3.2| Show InChI InChI=1S/C23H30N2O2/c1-26-21-11-8-19(9-12-21)15-25-16-20-10-13-23(27-2)22(25)17-24(20)14-18-6-4-3-5-7-18/h3-9,11-12,20,22-23H,10,13-17H2,1-2H3/t20-,22+,23+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Pharmazeutische und Medizinische Chemie der Westfälischen Wilhelms-Universität Münster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from opioid sigma1 receptor in guinea pig brain homogenate				Bioorg Med Chem 17: 777-93 (2009) Article DOI: 10.1016/j.bmc.2008.11.043 BindingDB Entry DOI: 10.7270/Q2CF9PX9
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50274915 ((-)-(1R,5R)-6-allyl-8-(4-methoxybenzyl)-6,8-diazab...) Show SMILES COc1ccc(CN2C[C@H]3CCC[C@@H]2CN3CC=C)cc1 |r,TLB:6:7:15.14:10.11.12,THB:16:15:8.7:10.11.12| Show InChI InChI=1S/C18H26N2O/c1-3-11-19-13-17-6-4-5-16(19)14-20(17)12-15-7-9-18(21-2)10-8-15/h3,7-10,16-17H,1,4-6,11-14H2,2H3/t16-,17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Pharmazeutische und Medizinische Chemie der Westfälischen Wilhelms-Universität Münster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from opioid sigma1 receptor in guinea pig brain homogenate				Bioorg Med Chem 17: 777-93 (2009) Article DOI: 10.1016/j.bmc.2008.11.043 BindingDB Entry DOI: 10.7270/Q2CF9PX9
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50276230 ((-)-(1R,5S)-6-Benzyl-8-(4-methoxybenzyl)-6,8-diaza...) Show SMILES COc1ccc(CN2C[C@@H]3CCC(=O)[C@H]2CN3Cc2ccccc2)cc1 |r,TLB:13:12:7.8:16.15,6:7:16.15:10.11.12,THB:17:16:7.8:10.11.12| 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/t19-,21+/m0/s1	PDB UniProtKB/SwissProt 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 f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 opioid receptor in guinea pig brain by solid scintillation counting				Bioorg Med Chem 17: 1445-55 (2009) Article DOI: 10.1016/j.bmc.2009.01.012 BindingDB Entry DOI: 10.7270/Q23T9J53
					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))	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 für Pharmazeutische und Medizinische Chemie der Westfälischen Wilhelms-Universität Münster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from opioid sigma1 receptor in guinea pig brain homogenate				Bioorg Med Chem 17: 777-93 (2009) Article DOI: 10.1016/j.bmc.2008.11.043 BindingDB Entry DOI: 10.7270/Q2CF9PX9
					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 f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 opioid receptor in guinea pig brain by solid scintillation counting				Bioorg Med Chem 17: 1445-55 (2009) Article DOI: 10.1016/j.bmc.2009.01.012 BindingDB Entry DOI: 10.7270/Q23T9J53
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50276130 ((+)-(1S,5R)-8-(4-Methoxybenzyl)-6-propyl-6,8-diaza...) Show SMILES CCCN1C[C@@H]2N(Cc3ccc(OC)cc3)C[C@H]1CCC2=O |r,THB:2:3:6.16:18.19.20,21:20:6.16:3.4,7:6:3.4:18.19.20| 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/h4-5,7-8,15,17H,3,6,9-13H2,1-2H3/t15-,17+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	67	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 sigma1 opioid receptor in guinea pig brain by solid scintillation counting				Bioorg Med Chem 17: 1445-55 (2009) Article DOI: 10.1016/j.bmc.2009.01.012 BindingDB Entry DOI: 10.7270/Q23T9J53
					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))	BDBM50225874 ((-)-(1S,2R,5R)-6-benzyl-8-(4-methoxybenzyl)-6,8-di...) Show SMILES COc1ccc(CN2C[C@H]3CC[C@@H](O)[C@@H]2CN3Cc2ccccc2)cc1 |TLB:6:7:16.15:10.11.12,13:12:16.15:8.7| Show InChI InChI=1S/C22H28N2O2/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/h2-8,10-11,19,21-22,25H,9,12-16H2,1H3/t19-,21+,22-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	118	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University M£nster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane				J Med Chem 50: 6144-53 (2007) Article DOI: 10.1021/jm070620b BindingDB Entry DOI: 10.7270/Q28K79XF
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50225875 ((+)-(1R,2S,5S)-6-benzyl-8-(4-methoxybenzyl)-6,8-di...) Show SMILES COc1ccc(CN2C[C@@H]3CC[C@H](O)[C@H]2CN3Cc2ccccc2)cc1 |TLB:6:7:16.15:10.11.12,13:12:16.15:8.7| Show InChI InChI=1S/C22H28N2O2/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/h2-8,10-11,19,21-22,25H,9,12-16H2,1H3/t19-,21+,22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	125	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University M£nster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane				J Med Chem 50: 6144-53 (2007) Article DOI: 10.1021/jm070620b BindingDB Entry DOI: 10.7270/Q28K79XF
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50225872 ((+)-(1S,2R,5R)-6-benzyl-2-methoxy-8-(4-methoxybenz...) Show SMILES CO[C@@H]1CC[C@@H]2CN(Cc3ccc(OC)cc3)[C@H]1CN2Cc1ccccc1 |TLB:8:7:19.18:4.3.2,1:2:19.18:6.7| Show InChI InChI=1S/C23H30N2O2/c1-26-21-11-8-19(9-12-21)15-25-16-20-10-13-23(27-2)22(25)17-24(20)14-18-6-4-3-5-7-18/h3-9,11-12,20,22-23H,10,13-17H2,1-2H3/t20-,22+,23-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University M£nster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane				J Med Chem 50: 6144-53 (2007) Article DOI: 10.1021/jm070620b BindingDB Entry DOI: 10.7270/Q28K79XF
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50276231 ((+)-(1S,5R)-6-Benzyl-8-(4-methoxybenzyl)-6,8-diaza...) Show SMILES COc1ccc(CN2C[C@H]3CCC(=O)[C@@H]2CN3Cc2ccccc2)cc1 |r,TLB:13:12:7.8:16.15,6:7:16.15:10.11.12,THB:17:16:7.8:10.11.12| 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/t19-,21+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	133	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 sigma1 opioid receptor in guinea pig brain by solid scintillation counting				Bioorg Med Chem 17: 1445-55 (2009) Article DOI: 10.1016/j.bmc.2009.01.012 BindingDB Entry DOI: 10.7270/Q23T9J53
					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))	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	177	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University M£nster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane				J Med Chem 50: 6144-53 (2007) Article DOI: 10.1021/jm070620b BindingDB Entry DOI: 10.7270/Q28K79XF
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50225869 ((-)-(1S,2S,5R)-6-benzyl-2-methoxy-8-(4-methoxybenz...) Show SMILES CO[C@H]1CC[C@@H]2CN(Cc3ccc(OC)cc3)[C@H]1CN2Cc1ccccc1 |TLB:8:7:19.18:4.3.2,1:2:19.18:6.7| Show InChI InChI=1S/C23H30N2O2/c1-26-21-11-8-19(9-12-21)15-25-16-20-10-13-23(27-2)22(25)17-24(20)14-18-6-4-3-5-7-18/h3-9,11-12,20,22-23H,10,13-17H2,1-2H3/t20-,22+,23+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	258	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University M£nster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane				J Med Chem 50: 6144-53 (2007) Article DOI: 10.1021/jm070620b BindingDB Entry DOI: 10.7270/Q28K79XF
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50274916 ((+)-(1S,5S)-6-allyl-8-(2,4-dimethoxybenzyl)-6,8-di...) Show SMILES COc1ccc(CN2C[C@@H]3CCC[C@H]2CN3CC=C)c(OC)c1 |r,TLB:6:7:15.14:10.11.12,THB:16:15:8.7:10.11.12| Show InChI InChI=1S/C19H28N2O2/c1-4-10-20-13-17-7-5-6-16(20)14-21(17)12-15-8-9-18(22-2)11-19(15)23-3/h4,8-9,11,16-17H,1,5-7,10,12-14H2,2-3H3/t16-,17-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	267	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Pharmazeutische und Medizinische Chemie der Westfälischen Wilhelms-Universität Münster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from opioid sigma1 receptor in guinea pig brain homogenate				Bioorg Med Chem 17: 777-93 (2009) Article DOI: 10.1016/j.bmc.2008.11.043 BindingDB Entry DOI: 10.7270/Q2CF9PX9
					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))	BDBM50276094 ((-)-(1R,5S)-8-(4-Methoxybenzyl)-6-propyl-6,8-diaza...) Show SMILES CCCN1C[C@H]2N(Cc3ccc(OC)cc3)C[C@@H]1CCC2=O |r,THB:2:3:6.16:18.19.20,21:20:6.16:3.4,7:6:3.4:18.19.20| 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/h4-5,7-8,15,17H,3,6,9-13H2,1-2H3/t15-,17+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	325	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 sigma1 opioid receptor in guinea pig brain by solid scintillation counting				Bioorg Med Chem 17: 1445-55 (2009) Article DOI: 10.1016/j.bmc.2009.01.012 BindingDB Entry DOI: 10.7270/Q23T9J53
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50275328 ((-)-(1S,2S,5R)-6-allyl-8-(4-methoxybenzyl)-6,8-dia...) Show SMILES COc1ccc(CN2C[C@H]3CC[C@H](O)[C@@H]2CN3CC=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+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	343	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Pharmazeutische und Medizinische Chemie der Westfälischen Wilhelms-Universität Münster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from opioid sigma1 receptor in guinea pig brain homogenate				Bioorg Med Chem 17: 777-93 (2009) Article DOI: 10.1016/j.bmc.2008.11.043 BindingDB Entry DOI: 10.7270/Q2CF9PX9
					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))	BDBM50275289 ((+)-(1S,5R)-6-allyl-8-(4-methoxybenzyl)-6,8-diazab...) Show SMILES COc1ccc(CN2C[C@H]3CCC(=O)[C@@H]2CN3CC=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/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/t15-,17+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	548	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 sigma1 opioid receptor in guinea pig brain by solid scintillation counting				Bioorg Med Chem 17: 1445-55 (2009) Article DOI: 10.1016/j.bmc.2009.01.012 BindingDB Entry DOI: 10.7270/Q23T9J53
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50275289 ((+)-(1S,5R)-6-allyl-8-(4-methoxybenzyl)-6,8-diazab...) Show SMILES COc1ccc(CN2C[C@H]3CCC(=O)[C@@H]2CN3CC=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/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/t15-,17+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	548	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Pharmazeutische und Medizinische Chemie der Westfälischen Wilhelms-Universität Münster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from opioid sigma1 receptor in guinea pig brain homogenate				Bioorg Med Chem 17: 777-93 (2009) Article DOI: 10.1016/j.bmc.2008.11.043 BindingDB Entry DOI: 10.7270/Q2CF9PX9
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50274917 ((-)-(1R,5R)-6-allyl-8-(2,4-dimethoxybenzyl)-6,8-di...) Show SMILES COc1ccc(CN2C[C@H]3CCC[C@@H]2CN3CC=C)c(OC)c1 |r,TLB:6:7:15.14:10.11.12,THB:16:15:8.7:10.11.12| Show InChI InChI=1S/C19H28N2O2/c1-4-10-20-13-17-7-5-6-16(20)14-21(17)12-15-8-9-18(22-2)11-19(15)23-3/h4,8-9,11,16-17H,1,5-7,10,12-14H2,2-3H3/t16-,17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	561	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Pharmazeutische und Medizinische Chemie der Westfälischen Wilhelms-Universität Münster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from opioid sigma1 receptor in guinea pig brain homogenate				Bioorg Med Chem 17: 777-93 (2009) Article DOI: 10.1016/j.bmc.2008.11.043 BindingDB Entry DOI: 10.7270/Q2CF9PX9
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50275287 ((-)-(1S,5R)-6-Allyl-2,2-dimethoxy-8-(4-methoxybenz...) Show SMILES COc1ccc(CN2C[C@H]3CCC(OC)(OC)[C@@H]2CN3CC=C)cc1 |r,TLB:6:7:19.18:10.11.12,THB:20:19:8.7:10.11.12| Show InChI InChI=1S/C20H30N2O3/c1-5-12-21-15-19-20(24-3,25-4)11-10-17(21)14-22(19)13-16-6-8-18(23-2)9-7-16/h5-9,17,19H,1,10-15H2,2-4H3/t17-,19+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	588	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Pharmazeutische und Medizinische Chemie der Westfälischen Wilhelms-Universität Münster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from opioid sigma1 receptor in guinea pig brain homogenate				Bioorg Med Chem 17: 777-93 (2009) Article DOI: 10.1016/j.bmc.2008.11.043 BindingDB Entry DOI: 10.7270/Q2CF9PX9
					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))	BDBM50275286 ((+)-(1R,5S)-6-Allyl-2,2-dimethoxy-8-(4-methoxybenz...) Show SMILES COc1ccc(CN2C[C@@H]3CCC(OC)(OC)[C@H]2CN3CC=C)cc1 |r,TLB:6:7:19.18:10.11.12,THB:20:19:8.7:10.11.12| Show InChI InChI=1S/C20H30N2O3/c1-5-12-21-15-19-20(24-3,25-4)11-10-17(21)14-22(19)13-16-6-8-18(23-2)9-7-16/h5-9,17,19H,1,10-15H2,2-4H3/t17-,19+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Pharmazeutische und Medizinische Chemie der Westfälischen Wilhelms-Universität Münster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from opioid sigma1 receptor in guinea pig brain homogenate				Bioorg Med Chem 17: 777-93 (2009) Article DOI: 10.1016/j.bmc.2008.11.043 BindingDB Entry DOI: 10.7270/Q2CF9PX9
					More data for this Ligand-Target Pair

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