Compile Data Set for Download or QSAR

Found 39 hits Enz. Inhib. hit(s) with all data for entry = 50040091   

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 (Cavia porcellus (Guinea pig))	BDBM50252721 (1-(Cyclohexylmethyl)-6-methoxy-6,7-dihydrospiro[pi...) Show SMILES COC1Cc2sccc2C2(CCN(CC3CCCCC3)CC2)O1 Show InChI InChI=1S/C19H29NO2S/c1-21-18-13-17-16(7-12-23-17)19(22-18)8-10-20(11-9-19)14-15-5-3-2-4-6-15/h7,12,15,18H,2-6,8-11,13-14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)pentazocine from guinea pig brain sigma 1-type opioid receptor after 120 mins by scintillation counting analysis				J Med Chem 55: 5350-60 (2012) Article DOI: 10.1021/jm300302p BindingDB Entry DOI: 10.7270/Q2VX0HMZ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50389025 (CHEMBL2064198) Show SMILES C(N1CCC2(CC1)OCCc1sccc21)c1ccccc1 Show InChI InChI=1S/C18H21NOS/c1-2-4-15(5-3-1)14-19-10-8-18(9-11-19)16-7-13-21-17(16)6-12-20-18/h1-5,7,13H,6,8-12,14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)pentazocine from guinea pig brain sigma 1-type opioid receptor after 120 mins by scintillation counting analysis				J Med Chem 55: 5350-60 (2012) Article DOI: 10.1021/jm300302p BindingDB Entry DOI: 10.7270/Q2VX0HMZ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50389031 (CHEMBL2064201) Show SMILES N#CC1Cc2sccc2C2(CCN(CC3CCCCC3)CC2)O1 Show InChI InChI=1S/C19H26N2OS/c20-13-16-12-18-17(6-11-23-18)19(22-16)7-9-21(10-8-19)14-15-4-2-1-3-5-15/h6,11,15-16H,1-5,7-10,12,14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)pentazocine from guinea pig brain sigma 1-type opioid receptor after 120 mins by scintillation counting analysis				J Med Chem 55: 5350-60 (2012) Article DOI: 10.1021/jm300302p BindingDB Entry DOI: 10.7270/Q2VX0HMZ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50321753 (1-(cyclohexylmethyl)-6',7'-dihydrospiro[piperidine...) Show SMILES C(C1CCCCC1)N1CCC2(CC1)OCCc1sccc21 Show InChI InChI=1S/C18H27NOS/c1-2-4-15(5-3-1)14-19-10-8-18(9-11-19)16-7-13-21-17(16)6-12-20-18/h7,13,15H,1-6,8-12,14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)pentazocine from guinea pig brain sigma 1-type opioid receptor after 120 mins by scintillation counting analysis				J Med Chem 55: 5350-60 (2012) Article DOI: 10.1021/jm300302p BindingDB Entry DOI: 10.7270/Q2VX0HMZ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50321756 ((R)-1-benzyl-6'-methoxy-6',7'-dihydrospiro[piperid...) Show SMILES CO[C@H]1Cc2sc(cc2C2(CCN(Cc3ccccc3)CC2)O1)C#N |r| Show InChI InChI=1S/C20H22N2O2S/c1-23-19-12-18-17(11-16(13-21)25-18)20(24-19)7-9-22(10-8-20)14-15-5-3-2-4-6-15/h2-6,11,19H,7-10,12,14H2,1H3/t19-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)pentazocine from guinea pig brain sigma 1-type opioid receptor after 120 mins by scintillation counting analysis				J Med Chem 55: 5350-60 (2012) Article DOI: 10.1021/jm300302p BindingDB Entry DOI: 10.7270/Q2VX0HMZ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50108659 (1'-benzyl-3-methoxy-3H-spiro[2-benzofuran-1,4'-pip...) Show SMILES COC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12 Show InChI InChI=1S/C20H23NO2/c1-22-19-17-9-5-6-10-18(17)20(23-19)11-13-21(14-12-20)15-16-7-3-2-4-8-16/h2-10,19H,11-15H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)pentazocine from guinea pig brain sigma 1-type opioid receptor after 120 mins by scintillation counting analysis				J Med Chem 55: 5350-60 (2012) Article DOI: 10.1021/jm300302p BindingDB Entry DOI: 10.7270/Q2VX0HMZ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50389029 (CHEMBL2064184) Show SMILES COC1Cc2sc(Cl)cc2C2(CCN(Cc3ccccc3)CC2)O1 Show InChI InChI=1S/C19H22ClNO2S/c1-22-18-12-16-15(11-17(20)24-16)19(23-18)7-9-21(10-8-19)13-14-5-3-2-4-6-14/h2-6,11,18H,7-10,12-13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)pentazocine from guinea pig brain sigma 1-type opioid receptor after 120 mins by scintillation counting analysis				J Med Chem 55: 5350-60 (2012) Article DOI: 10.1021/jm300302p BindingDB Entry DOI: 10.7270/Q2VX0HMZ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50389024 (CHEMBL2064202) Show SMILES N#CC1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1 Show InChI InChI=1S/C19H20N2OS/c20-13-16-12-18-17(6-11-23-18)19(22-16)7-9-21(10-8-19)14-15-4-2-1-3-5-15/h1-6,11,16H,7-10,12,14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)pentazocine from guinea pig brain sigma 1-type opioid receptor after 120 mins by scintillation counting analysis				J Med Chem 55: 5350-60 (2012) Article DOI: 10.1021/jm300302p BindingDB Entry DOI: 10.7270/Q2VX0HMZ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50389033 (CHEMBL2064199) Show SMILES C(C1CCCCC1)N1CCC2(CC1)OC=Cc1sccc21 |c:16| Show InChI InChI=1S/C18H25NOS/c1-2-4-15(5-3-1)14-19-10-8-18(9-11-19)16-7-13-21-17(16)6-12-20-18/h6-7,12-13,15H,1-5,8-11,14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)pentazocine from guinea pig brain sigma 1-type opioid receptor after 120 mins by scintillation counting analysis				J Med Chem 55: 5350-60 (2012) Article DOI: 10.1021/jm300302p BindingDB Entry DOI: 10.7270/Q2VX0HMZ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50389032 (CHEMBL2064200) Show SMILES C(N1CCC2(CC1)OC=Cc1sccc21)c1ccccc1 |c:9| Show InChI InChI=1S/C18H19NOS/c1-2-4-15(5-3-1)14-19-10-8-18(9-11-19)16-7-13-21-17(16)6-12-20-18/h1-7,12-13H,8-11,14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)pentazocine from guinea pig brain sigma 1-type opioid receptor after 120 mins by scintillation counting analysis				J Med Chem 55: 5350-60 (2012) Article DOI: 10.1021/jm300302p BindingDB Entry DOI: 10.7270/Q2VX0HMZ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50389025 (CHEMBL2064198) Show SMILES C(N1CCC2(CC1)OCCc1sccc21)c1ccccc1 Show InChI InChI=1S/C18H21NOS/c1-2-4-15(5-3-1)14-19-10-8-18(9-11-19)16-7-13-21-17(16)6-12-20-18/h1-5,7,13H,6,8-12,14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Binding affinity to human sigma 1-type opioid receptor				J Med Chem 55: 5350-60 (2012) Article DOI: 10.1021/jm300302p BindingDB Entry DOI: 10.7270/Q2VX0HMZ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50321786 ((R)-1-benzyl-2'-(dimethoxymethyl)-6'-methoxy-6',7'...) Show SMILES COC(OC)c1cc2c(C[C@H](OC)OC22CCN(Cc3ccccc3)CC2)s1 |r| Show InChI InChI=1S/C22H29NO4S/c1-24-20-14-18-17(13-19(28-18)21(25-2)26-3)22(27-20)9-11-23(12-10-22)15-16-7-5-4-6-8-16/h4-8,13,20-21H,9-12,14-15H2,1-3H3/t20-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)pentazocine from guinea pig brain sigma 1-type opioid receptor after 120 mins by scintillation counting analysis				J Med Chem 55: 5350-60 (2012) Article DOI: 10.1021/jm300302p BindingDB Entry DOI: 10.7270/Q2VX0HMZ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50321758 ((R)-1,2'-dibenzyl-6'-methoxy-6',7'-dihydrospiro[pi...) Show SMILES CO[C@H]1Cc2sc(Cc3ccccc3)cc2C2(CCN(Cc3ccccc3)CC2)O1 |r| Show InChI InChI=1S/C26H29NO2S/c1-28-25-18-24-23(17-22(30-24)16-20-8-4-2-5-9-20)26(29-25)12-14-27(15-13-26)19-21-10-6-3-7-11-21/h2-11,17,25H,12-16,18-19H2,1H3/t25-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)pentazocine from guinea pig brain sigma 1-type opioid receptor after 120 mins by scintillation counting analysis				J Med Chem 55: 5350-60 (2012) Article DOI: 10.1021/jm300302p BindingDB Entry DOI: 10.7270/Q2VX0HMZ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50389030 (CHEMBL2064203) Show SMILES OC1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1 Show InChI InChI=1S/C18H21NO2S/c20-17-12-16-15(6-11-22-16)18(21-17)7-9-19(10-8-18)13-14-4-2-1-3-5-14/h1-6,11,17,20H,7-10,12-13H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)pentazocine from guinea pig brain sigma 1-type opioid receptor after 120 mins by scintillation counting analysis				J Med Chem 55: 5350-60 (2012) Article DOI: 10.1021/jm300302p BindingDB Entry DOI: 10.7270/Q2VX0HMZ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50321787 ((1-benzyl-6'-methoxy-6',7'-dihydrospiro[piperidine...) Show SMILES CO[C@H]1Cc2sc(cc2C2(CCN(Cc3ccccc3)CC2)O1)[C@H](O)c1ccccc1 |r| Show InChI InChI=1S/C26H29NO3S/c1-29-24-17-22-21(16-23(31-22)25(28)20-10-6-3-7-11-20)26(30-24)12-14-27(15-13-26)18-19-8-4-2-5-9-19/h2-11,16,24-25,28H,12-15,17-18H2,1H3/t24-,25-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)pentazocine from guinea pig brain sigma 1-type opioid receptor after 120 mins by scintillation counting analysis				J Med Chem 55: 5350-60 (2012) Article DOI: 10.1021/jm300302p BindingDB Entry DOI: 10.7270/Q2VX0HMZ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50321757 ((R)-(1-benzyl-6'-methoxy-6',7'-dihydrospiro[piperi...) Show SMILES CO[C@H]1Cc2sc(cc2C2(CCN(Cc3ccccc3)CC2)O1)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C26H27NO3S/c1-29-24-17-22-21(16-23(31-22)25(28)20-10-6-3-7-11-20)26(30-24)12-14-27(15-13-26)18-19-8-4-2-5-9-19/h2-11,16,24H,12-15,17-18H2,1H3/t24-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)pentazocine from guinea pig brain sigma 1-type opioid receptor after 120 mins by scintillation counting analysis				J Med Chem 55: 5350-60 (2012) Article DOI: 10.1021/jm300302p BindingDB Entry DOI: 10.7270/Q2VX0HMZ
					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 f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)pentazocine from guinea pig brain sigma 1-type opioid receptor after 120 mins by scintillation counting analysis				J Med Chem 55: 5350-60 (2012) Article DOI: 10.1021/jm300302p BindingDB Entry DOI: 10.7270/Q2VX0HMZ
					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 Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)pentazocine from guinea pig brain sigma 1-type opioid receptor after 120 mins by scintillation counting analysis				J Med Chem 55: 5350-60 (2012) Article DOI: 10.1021/jm300302p BindingDB Entry DOI: 10.7270/Q2VX0HMZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50389024 (CHEMBL2064202) Show SMILES N#CC1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1 Show InChI InChI=1S/C19H20N2OS/c20-13-16-12-18-17(6-11-23-18)19(22-16)7-9-21(10-8-19)14-15-4-2-1-3-5-15/h1-6,11,16H,7-10,12,14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Binding affinity to human sigma 1-type opioid receptor				J Med Chem 55: 5350-60 (2012) Article DOI: 10.1021/jm300302p BindingDB Entry DOI: 10.7270/Q2VX0HMZ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50321790 ((R)-(1-benzyl-6',7'-dihydrospiro[piperidine-4,4'-t...) Show SMILES OC[C@H]1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1 |r| Show InChI InChI=1S/C19H23NO2S/c21-14-16-12-18-17(6-11-23-18)19(22-16)7-9-20(10-8-19)13-15-4-2-1-3-5-15/h1-6,11,16,21H,7-10,12-14H2/t16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)pentazocine from guinea pig brain sigma 1-type opioid receptor after 120 mins by scintillation counting analysis				J Med Chem 55: 5350-60 (2012) Article DOI: 10.1021/jm300302p BindingDB Entry DOI: 10.7270/Q2VX0HMZ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50321754 ((R)-(1-benzyl-6'-methoxy-6',7'-dihydrospiro[piperi...) Show SMILES CO[C@H]1Cc2sc(CO)cc2C2(CCN(Cc3ccccc3)CC2)O1 |r| Show InChI InChI=1S/C20H25NO3S/c1-23-19-12-18-17(11-16(14-22)25-18)20(24-19)7-9-21(10-8-20)13-15-5-3-2-4-6-15/h2-6,11,19,22H,7-10,12-14H2,1H3/t19-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)pentazocine from guinea pig brain sigma 1-type opioid receptor after 120 mins by scintillation counting analysis				J Med Chem 55: 5350-60 (2012) Article DOI: 10.1021/jm300302p BindingDB Entry DOI: 10.7270/Q2VX0HMZ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50321788 ((R)-1-(1-benzyl-6',7'-dihydrospiro[piperidine-4,4'...) Show SMILES CC(=O)C[C@@H]1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1 |r| Show InChI InChI=1S/C21H25NO2S/c1-16(23)13-18-14-20-19(7-12-25-20)21(24-18)8-10-22(11-9-21)15-17-5-3-2-4-6-17/h2-7,12,18H,8-11,13-15H2,1H3/t18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)pentazocine from guinea pig brain sigma 1-type opioid receptor after 120 mins by scintillation counting analysis				J Med Chem 55: 5350-60 (2012) Article DOI: 10.1021/jm300302p BindingDB Entry DOI: 10.7270/Q2VX0HMZ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50321791 ((R)-methyl 1-benzyl-6'-methoxy-6',7'-dihydrospiro[...) Show SMILES CO[C@H]1Cc2sc(cc2C2(CCN(Cc3ccccc3)CC2)O1)C(=O)OC |r| Show InChI InChI=1S/C21H25NO4S/c1-24-19-13-17-16(12-18(27-17)20(23)25-2)21(26-19)8-10-22(11-9-21)14-15-6-4-3-5-7-15/h3-7,12,19H,8-11,13-14H2,1-2H3/t19-/m1/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 f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)pentazocine from guinea pig brain sigma 1-type opioid receptor after 120 mins by scintillation counting analysis				J Med Chem 55: 5350-60 (2012) Article DOI: 10.1021/jm300302p BindingDB Entry DOI: 10.7270/Q2VX0HMZ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50389027 (CHEMBL2064188) Show SMILES COC(=O)CC1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1 Show InChI InChI=1S/C21H25NO3S/c1-24-20(23)14-17-13-19-18(7-12-26-19)21(25-17)8-10-22(11-9-21)15-16-5-3-2-4-6-16/h2-7,12,17H,8-11,13-15H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)pentazocine from guinea pig brain sigma 1-type opioid receptor after 120 mins by scintillation counting analysis				J Med Chem 55: 5350-60 (2012) Article DOI: 10.1021/jm300302p BindingDB Entry DOI: 10.7270/Q2VX0HMZ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50321755 ((R)-1-(1-benzyl-6'-methoxy-6',7'-dihydrospiro[pipe...) Show SMILES CO[C@H]1Cc2sc(CN(C)C)cc2C2(CCN(Cc3ccccc3)CC2)O1 |r| Show InChI InChI=1S/C22H30N2O2S/c1-23(2)16-18-13-19-20(27-18)14-21(25-3)26-22(19)9-11-24(12-10-22)15-17-7-5-4-6-8-17/h4-8,13,21H,9-12,14-16H2,1-3H3/t21-/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 Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)pentazocine from guinea pig brain sigma 1-type opioid receptor after 120 mins by scintillation counting analysis				J Med Chem 55: 5350-60 (2012) Article DOI: 10.1021/jm300302p BindingDB Entry DOI: 10.7270/Q2VX0HMZ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50321789 ((R)-ethyl 2-(1-benzyl-6',7'-dihydrospiro[piperidin...) Show SMILES CCOC(=O)C[C@@H]1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1 |r| Show InChI InChI=1S/C22H27NO3S/c1-2-25-21(24)15-18-14-20-19(8-13-27-20)22(26-18)9-11-23(12-10-22)16-17-6-4-3-5-7-17/h3-8,13,18H,2,9-12,14-16H2,1H3/t18-/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 Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)pentazocine from guinea pig brain sigma 1-type opioid receptor after 120 mins by scintillation counting analysis				J Med Chem 55: 5350-60 (2012) Article DOI: 10.1021/jm300302p BindingDB Entry DOI: 10.7270/Q2VX0HMZ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50389028 (CHEMBL2064186) Show SMILES OCCC1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1 Show InChI InChI=1S/C20H25NO2S/c22-12-6-17-14-19-18(7-13-24-19)20(23-17)8-10-21(11-9-20)15-16-4-2-1-3-5-16/h1-5,7,13,17,22H,6,8-12,14-15H2	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 f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)pentazocine from guinea pig brain sigma 1-type opioid receptor after 120 mins by scintillation counting analysis				J Med Chem 55: 5350-60 (2012) Article DOI: 10.1021/jm300302p BindingDB Entry DOI: 10.7270/Q2VX0HMZ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50321803 ((R)-methyl 1-benzyl-6',7'-dihydrospiro[piperidine-...) Show SMILES COC(=O)[C@H]1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1 |r| Show InChI InChI=1S/C20H23NO3S/c1-23-19(22)17-13-18-16(7-12-25-18)20(24-17)8-10-21(11-9-20)14-15-5-3-2-4-6-15/h2-7,12,17H,8-11,13-14H2,1H3/t17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)pentazocine from guinea pig brain sigma 1-type opioid receptor after 120 mins by scintillation counting analysis				J Med Chem 55: 5350-60 (2012) Article DOI: 10.1021/jm300302p BindingDB Entry DOI: 10.7270/Q2VX0HMZ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50028091 ((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...) Show SMILES COCCCC\C(=N/OCCN)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C15H21F3N2O2/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18/h5-8H,2-4,9-11,19H2,1H3/b20-14+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)pentazocine from rat brain sigma 1-type opioid receptor				J Med Chem 55: 5350-60 (2012) Article DOI: 10.1021/jm300302p BindingDB Entry DOI: 10.7270/Q2VX0HMZ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50389034 (CHEMBL2064205) Show SMILES COC1Cc2sc(CN=O)cc2C2(CCN(Cc3ccccc3)CC2)O1 Show InChI InChI=1S/C20H24N2O3S/c1-24-19-12-18-17(11-16(26-18)13-21-23)20(25-19)7-9-22(10-8-20)14-15-5-3-2-4-6-15/h2-6,11,19H,7-10,12-14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)pentazocine from guinea pig brain sigma 1-type opioid receptor after 120 mins by scintillation counting analysis				J Med Chem 55: 5350-60 (2012) Article DOI: 10.1021/jm300302p BindingDB Entry DOI: 10.7270/Q2VX0HMZ
					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 Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)pentazocine from guinea pig brain sigma 1-type opioid receptor after 120 mins by scintillation counting analysis				J Med Chem 55: 5350-60 (2012) Article DOI: 10.1021/jm300302p BindingDB Entry DOI: 10.7270/Q2VX0HMZ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50321810 ((R)-1-(1-benzyl-6',7'-dihydrospiro[piperidine-4,4'...) Show SMILES CN(C)C[C@H]1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1 |r| Show InChI InChI=1S/C21H28N2OS/c1-22(2)16-18-14-20-19(8-13-25-20)21(24-18)9-11-23(12-10-21)15-17-6-4-3-5-7-17/h3-8,13,18H,9-12,14-16H2,1-2H3/t18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)pentazocine from guinea pig brain sigma 1-type opioid receptor after 120 mins by scintillation counting analysis				J Med Chem 55: 5350-60 (2012) Article DOI: 10.1021/jm300302p BindingDB Entry DOI: 10.7270/Q2VX0HMZ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50321808 ((S)-2-(1-benzyl-6',7'-dihydrospiro[piperidine-4,4'...) Show SMILES N#CC[C@H]1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1 |r| Show InChI InChI=1S/C20H22N2OS/c21-10-6-17-14-19-18(7-13-24-19)20(23-17)8-11-22(12-9-20)15-16-4-2-1-3-5-16/h1-5,7,13,17H,6,8-9,11-12,14-15H2/t17-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	64	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)pentazocine from guinea pig brain sigma 1-type opioid receptor after 120 mins by scintillation counting analysis				J Med Chem 55: 5350-60 (2012) Article DOI: 10.1021/jm300302p BindingDB Entry DOI: 10.7270/Q2VX0HMZ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50321805 ((R)-(1-benzyl-6',7'-dihydrospiro[piperidine-4,4'-t...) Show SMILES NC[C@H]1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1 |r| Show InChI InChI=1S/C19H24N2OS/c20-13-16-12-18-17(6-11-23-18)19(22-16)7-9-21(10-8-19)14-15-4-2-1-3-5-15/h1-6,11,16H,7-10,12-14,20H2/t16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)pentazocine from guinea pig brain sigma 1-type opioid receptor after 120 mins by scintillation counting analysis				J Med Chem 55: 5350-60 (2012) Article DOI: 10.1021/jm300302p BindingDB Entry DOI: 10.7270/Q2VX0HMZ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50321804 ((R)-ethyl 1-benzyl-6',7'-dihydrospiro[piperidine-4...) Show SMILES CCOC(=O)[C@H]1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1 |r| Show InChI InChI=1S/C21H25NO3S/c1-2-24-20(23)18-14-19-17(8-13-26-19)21(25-18)9-11-22(12-10-21)15-16-6-4-3-5-7-16/h3-8,13,18H,2,9-12,14-15H2,1H3/t18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	144	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)pentazocine from guinea pig brain sigma 1-type opioid receptor after 120 mins by scintillation counting analysis				J Med Chem 55: 5350-60 (2012) Article DOI: 10.1021/jm300302p BindingDB Entry DOI: 10.7270/Q2VX0HMZ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50321806 ((R)-N-benzyl-1-(1-benzyl-6',7'-dihydrospiro[piperi...) Show SMILES C(NCc1ccccc1)[C@H]1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1 |r| Show InChI InChI=1S/C26H30N2OS/c1-3-7-21(8-4-1)18-27-19-23-17-25-24(11-16-30-25)26(29-23)12-14-28(15-13-26)20-22-9-5-2-6-10-22/h1-11,16,23,27H,12-15,17-20H2/t23-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	196	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)pentazocine from guinea pig brain sigma 1-type opioid receptor after 120 mins by scintillation counting analysis				J Med Chem 55: 5350-60 (2012) Article DOI: 10.1021/jm300302p BindingDB Entry DOI: 10.7270/Q2VX0HMZ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50389026 (CHEMBL2064191) Show SMILES O=C1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1 Show InChI InChI=1S/C18H19NO2S/c20-17-12-16-15(6-11-22-16)18(21-17)7-9-19(10-8-18)13-14-4-2-1-3-5-14/h1-6,11H,7-10,12-13H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	296	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)pentazocine from guinea pig brain sigma 1-type opioid receptor after 120 mins by scintillation counting analysis				J Med Chem 55: 5350-60 (2012) Article DOI: 10.1021/jm300302p BindingDB Entry DOI: 10.7270/Q2VX0HMZ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50321807 ((R)-1-benzyl-6',7'-dihydrospiro[piperidine-4,4'-th...) Show SMILES NC(=O)[C@H]1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1 |r| Show InChI InChI=1S/C19H22N2O2S/c20-18(22)16-12-17-15(6-11-24-17)19(23-16)7-9-21(10-8-19)13-14-4-2-1-3-5-14/h1-6,11,16H,7-10,12-13H2,(H2,20,22)/t16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)pentazocine from guinea pig brain sigma 1-type opioid receptor after 120 mins by scintillation counting analysis				J Med Chem 55: 5350-60 (2012) Article DOI: 10.1021/jm300302p BindingDB Entry DOI: 10.7270/Q2VX0HMZ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50423875 ((+)-[3H]-Pentazocine | CHEMBL2311194 | [3H]-(+)-Pe...) 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:16:15:1:10.4.3| 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	n/a	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Binding affinity to guinea pig brain sigma1 receptor				J Med Chem 55: 5350-60 (2012) Article DOI: 10.1021/jm300302p BindingDB Entry DOI: 10.7270/Q2VX0HMZ
					More data for this Ligand-Target Pair				3D Structure (crystal)