Compile Data Set for Download or QSAR

Found 62 hits Enz. Inhib. hit(s) with all data for entry = 50039481   

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))	BDBM50321782 (1-(cyclohexylmethyl)-1'-phenyl-6',7'-dihydro-1'H-s...) Show SMILES C(C1CCCCC1)N1CCC2(CC1)OCCc1c2cnn1-c1ccccc1 Show InChI InChI=1S/C23H31N3O/c1-3-7-19(8-4-1)18-25-14-12-23(13-15-25)21-17-24-26(22(21)11-16-27-23)20-9-5-2-6-10-20/h2,5-6,9-10,17,19H,1,3-4,7-8,11-16,18H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.430	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 receptor after 180 mins by scintillation counting				J Med Chem 54: 6704-13 (2011) Article DOI: 10.1021/jm200585k BindingDB Entry DOI: 10.7270/Q22R3SN0
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50353612 (CHEMBL1829574) Show SMILES COC1Cc2c(cnn2-c2ccccc2)C2(CCN(CC3CCCCC3)CC2)O1 Show InChI InChI=1S/C24H33N3O2/c1-28-23-16-22-21(17-25-27(22)20-10-6-3-7-11-20)24(29-23)12-14-26(15-13-24)18-19-8-4-2-5-9-19/h3,6-7,10-11,17,19,23H,2,4-5,8-9,12-16,18H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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 receptor after 180 mins by scintillation counting				J Med Chem 54: 6704-13 (2011) Article DOI: 10.1021/jm200585k BindingDB Entry DOI: 10.7270/Q22R3SN0
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50321793 (1'-phenyl-1-(3-phenylpropyl)-6',7'-dihydro-1'H-spi...) Show SMILES C(CN1CCC2(CC1)OCCc1c2cnn1-c1ccccc1)Cc1ccccc1 Show InChI InChI=1S/C25H29N3O/c1-3-8-21(9-4-1)10-7-16-27-17-14-25(15-18-27)23-20-26-28(24(23)13-19-29-25)22-11-5-2-6-12-22/h1-6,8-9,11-12,20H,7,10,13-19H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.810	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 receptor after 180 mins by scintillation counting				J Med Chem 54: 6704-13 (2011) Article DOI: 10.1021/jm200585k BindingDB Entry DOI: 10.7270/Q22R3SN0
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50353614 (CHEMBL1829579) Show SMILES CCCCCN1CCC2(CC1)OC(Cc1c2cnn1-c1ccccc1)OC Show InChI InChI=1S/C22H31N3O2/c1-3-4-8-13-24-14-11-22(12-15-24)19-17-23-25(18-9-6-5-7-10-18)20(19)16-21(26-2)27-22/h5-7,9-10,17,21H,3-4,8,11-16H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.820	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 receptor after 180 mins by scintillation counting				J Med Chem 54: 6704-13 (2011) Article DOI: 10.1021/jm200585k BindingDB Entry DOI: 10.7270/Q22R3SN0
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50353607 (CHEMBL1829568) Show SMILES COC1Cc2c(cnn2-c2ccccc2)C2(CCN(Cc3ccc(F)cc3)CC2)O1 Show InChI InChI=1S/C24H26FN3O2/c1-29-23-15-22-21(16-26-28(22)20-5-3-2-4-6-20)24(30-23)11-13-27(14-12-24)17-18-7-9-19(25)10-8-18/h2-10,16,23H,11-15,17H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.940	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 receptor after 180 mins by scintillation counting				J Med Chem 54: 6704-13 (2011) Article DOI: 10.1021/jm200585k BindingDB Entry DOI: 10.7270/Q22R3SN0
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50353626 (CHEMBL1829671) Show SMILES CC(=C)CCN1CCC2(CC1)OCCc1c2cnn1-c1ccccc1 Show InChI InChI=1S/C21H27N3O/c1-17(2)8-12-23-13-10-21(11-14-23)19-16-22-24(20(19)9-15-25-21)18-6-4-3-5-7-18/h3-7,16H,1,8-15H2,2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.970	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 receptor after 180 mins by scintillation counting				J Med Chem 54: 6704-13 (2011) Article DOI: 10.1021/jm200585k BindingDB Entry DOI: 10.7270/Q22R3SN0
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50353615 (CHEMBL1829580) Show SMILES COC1Cc2c(cnn2-c2ccccc2)C2(CCN(CCC(C)C)CC2)O1 Show InChI InChI=1S/C22H31N3O2/c1-17(2)9-12-24-13-10-22(11-14-24)19-16-23-25(18-7-5-4-6-8-18)20(19)15-21(26-3)27-22/h4-8,16-17,21H,9-15H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.970	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 receptor after 180 mins by scintillation counting				J Med Chem 54: 6704-13 (2011) Article DOI: 10.1021/jm200585k BindingDB Entry DOI: 10.7270/Q22R3SN0
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50353625 (CHEMBL1829670) Show SMILES CC(C)CCN1CCC2(CC1)OCCc1c2cnn1-c1ccccc1 Show InChI InChI=1S/C21H29N3O/c1-17(2)8-12-23-13-10-21(11-14-23)19-16-22-24(20(19)9-15-25-21)18-6-4-3-5-7-18/h3-7,16-17H,8-15H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.980	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 receptor after 180 mins by scintillation counting				J Med Chem 54: 6704-13 (2011) Article DOI: 10.1021/jm200585k BindingDB Entry DOI: 10.7270/Q22R3SN0
					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 receptor after 180 mins by scintillation counting				J Med Chem 54: 6704-13 (2011) Article DOI: 10.1021/jm200585k BindingDB Entry DOI: 10.7270/Q22R3SN0
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50108653 (1'-benzyl-3-methoxyspiro[3,4-dihydro-1H-isochromen...) Show SMILES COC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1 Show InChI InChI=1S/C21H25NO2/c1-23-20-15-18-9-5-6-10-19(18)21(24-20)11-13-22(14-12-21)16-17-7-3-2-4-8-17/h2-10,20H,11-16H2,1H3	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 receptor after 180 mins by scintillation counting				J Med Chem 54: 6704-13 (2011) Article DOI: 10.1021/jm200585k BindingDB Entry DOI: 10.7270/Q22R3SN0
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50353622 (CHEMBL1829667) Show SMILES C(N1CCC2(CC1)OC=Cc1c2cnn1-c1ccccc1)c1ccccc1 |c:9| Show InChI InChI=1S/C23H23N3O/c1-3-7-19(8-4-1)18-25-14-12-23(13-15-25)21-17-24-26(22(21)11-16-27-23)20-9-5-2-6-10-20/h1-11,16-17H,12-15,18H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.48	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 receptor after 180 mins by scintillation counting				J Med Chem 54: 6704-13 (2011) Article DOI: 10.1021/jm200585k BindingDB Entry DOI: 10.7270/Q22R3SN0
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50321778 ((R)-1-benzyl-6'-methoxy-1'-phenyl-6',7'-dihydro-1'...) Show SMILES CO[C@H]1Cc2c(cnn2-c2ccccc2)C2(CCN(Cc3ccccc3)CC2)O1 |r| Show InChI InChI=1S/C24H27N3O2/c1-28-23-16-22-21(17-25-27(22)20-10-6-3-7-11-20)24(29-23)12-14-26(15-13-24)18-19-8-4-2-5-9-19/h2-11,17,23H,12-16,18H2,1H3/t23-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	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 Displacement of (+)-[3H]pentazocine from guinea pig brain sigma 1 receptor after 180 mins by scintillation counting				J Med Chem 54: 6704-13 (2011) Article DOI: 10.1021/jm200585k BindingDB Entry DOI: 10.7270/Q22R3SN0
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50353608 (CHEMBL1829569) Show SMILES COC1Cc2c(cnn2-c2ccccc2)C2(CCN(Cc3ccc(OC)cc3)CC2)O1 Show InChI InChI=1S/C25H29N3O3/c1-29-21-10-8-19(9-11-21)18-27-14-12-25(13-15-27)22-17-26-28(20-6-4-3-5-7-20)23(22)16-24(30-2)31-25/h3-11,17,24H,12-16,18H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.5	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 Displacement of (+)-[3H]pentazocine from guinea pig brain sigma 1 receptor after 180 mins by scintillation counting				J Med Chem 54: 6704-13 (2011) Article DOI: 10.1021/jm200585k BindingDB Entry DOI: 10.7270/Q22R3SN0
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50353616 (CHEMBL1829581) Show SMILES COC1Cc2c(cnn2-c2ccccc2)C2(CCN(CCC(C)=C)CC2)O1 Show InChI InChI=1S/C22H29N3O2/c1-17(2)9-12-24-13-10-22(11-14-24)19-16-23-25(18-7-5-4-6-8-18)20(19)15-21(26-3)27-22/h4-8,16,21H,1,9-15H2,2-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	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 receptor after 180 mins by scintillation counting				J Med Chem 54: 6704-13 (2011) Article DOI: 10.1021/jm200585k BindingDB Entry DOI: 10.7270/Q22R3SN0
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50353624 (CHEMBL1829669) Show SMILES C(N1CCC2(CC1)OCCc1c2cnn1-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C23H25N3O/c1-3-7-19(8-4-1)18-25-14-12-23(13-15-25)21-17-24-26(22(21)11-16-27-23)20-9-5-2-6-10-20/h1-10,17H,11-16,18H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.71	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 receptor after 180 mins by scintillation counting				J Med Chem 54: 6704-13 (2011) Article DOI: 10.1021/jm200585k BindingDB Entry DOI: 10.7270/Q22R3SN0
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50353609 (CHEMBL1829570) Show SMILES COC1Cc2c(cnn2-c2ccccc2)C2(CCN(Cc3ccco3)CC2)O1 Show InChI InChI=1S/C22H25N3O3/c1-26-21-14-20-19(15-23-25(20)17-6-3-2-4-7-17)22(28-21)9-11-24(12-10-22)16-18-8-5-13-27-18/h2-8,13,15,21H,9-12,14,16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.20	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 receptor after 180 mins by scintillation counting				J Med Chem 54: 6704-13 (2011) Article DOI: 10.1021/jm200585k BindingDB Entry DOI: 10.7270/Q22R3SN0
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50353630 (CHEMBL1829571) Show SMILES COC1Cc2c(cnn2-c2ccccc2)C2(CCN(CCc3ccccc3)CC2)O1 Show InChI InChI=1S/C25H29N3O2/c1-29-24-18-23-22(19-26-28(23)21-10-6-3-7-11-21)25(30-24)13-16-27(17-14-25)15-12-20-8-4-2-5-9-20/h2-11,19,24H,12-18H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.70	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 receptor after 180 mins by scintillation counting				J Med Chem 54: 6704-13 (2011) Article DOI: 10.1021/jm200585k BindingDB Entry DOI: 10.7270/Q22R3SN0
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50353617 (CHEMBL1829659) Show SMILES CCCCCCCCN1CCC2(CC1)OC(Cc1c2cnn1-c1ccccc1)OC Show InChI InChI=1S/C25H37N3O2/c1-3-4-5-6-7-11-16-27-17-14-25(15-18-27)22-20-26-28(21-12-9-8-10-13-21)23(22)19-24(29-2)30-25/h8-10,12-13,20,24H,3-7,11,14-19H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.90	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 receptor after 180 mins by scintillation counting				J Med Chem 54: 6704-13 (2011) Article DOI: 10.1021/jm200585k BindingDB Entry DOI: 10.7270/Q22R3SN0
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50353610 (CHEMBL1829572) Show SMILES COC1Cc2c(cnn2-c2ccccc2)C2(CCN(CCCc3ccccc3)CC2)O1 Show InChI InChI=1S/C26H31N3O2/c1-30-25-19-24-23(20-27-29(24)22-12-6-3-7-13-22)26(31-25)14-17-28(18-15-26)16-8-11-21-9-4-2-5-10-21/h2-7,9-10,12-13,20,25H,8,11,14-19H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.20	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 receptor after 180 mins by scintillation counting				J Med Chem 54: 6704-13 (2011) Article DOI: 10.1021/jm200585k BindingDB Entry DOI: 10.7270/Q22R3SN0
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50353611 (CHEMBL1829573) Show SMILES COC1Cc2c(cnn2-c2ccccc2)C2(CCN(CCCCc3ccccc3)CC2)O1 Show InChI InChI=1S/C27H33N3O2/c1-31-26-20-25-24(21-28-30(25)23-13-6-3-7-14-23)27(32-26)15-18-29(19-16-27)17-9-8-12-22-10-4-2-5-11-22/h2-7,10-11,13-14,21,26H,8-9,12,15-20H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.20	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 receptor after 180 mins by scintillation counting				J Med Chem 54: 6704-13 (2011) Article DOI: 10.1021/jm200585k BindingDB Entry DOI: 10.7270/Q22R3SN0
					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 receptor after 180 mins by scintillation counting				J Med Chem 54: 6704-13 (2011) Article DOI: 10.1021/jm200585k BindingDB Entry DOI: 10.7270/Q22R3SN0
					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 receptor after 180 mins by scintillation counting				J Med Chem 54: 6704-13 (2011) Article DOI: 10.1021/jm200585k BindingDB Entry DOI: 10.7270/Q22R3SN0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50321779 ((R)-1-isobutyl-6'-methoxy-1'-phenyl-6',7'-dihydro-...) Show SMILES CO[C@H]1Cc2c(cnn2-c2ccccc2)C2(CCN(CC(C)C)CC2)O1 |r| Show InChI InChI=1S/C21H29N3O2/c1-16(2)15-23-11-9-21(10-12-23)18-14-22-24(17-7-5-4-6-8-17)19(18)13-20(25-3)26-21/h4-8,14,16,20H,9-13,15H2,1-3H3/t20-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.30	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 receptor after 180 mins by scintillation counting				J Med Chem 54: 6704-13 (2011) Article DOI: 10.1021/jm200585k BindingDB Entry DOI: 10.7270/Q22R3SN0
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50353605 (CHEMBL1829565) Show SMILES Cn1ncc2c1CCOC21CCN(CC1)N1CCC(CC1)c1ccccc1 Show InChI InChI=1S/C22H30N4O/c1-24-21-9-16-27-22(20(21)17-23-24)10-14-26(15-11-22)25-12-7-19(8-13-25)18-5-3-2-4-6-18/h2-6,17,19H,7-16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	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 receptor after 180 mins by scintillation counting				J Med Chem 54: 6704-13 (2011) Article DOI: 10.1021/jm200585k BindingDB Entry DOI: 10.7270/Q22R3SN0
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50353613 (CHEMBL1829577) Show SMILES CCCCN1CCC2(CC1)OC(Cc1c2cnn1-c1ccccc1)OC Show InChI InChI=1S/C21H29N3O2/c1-3-4-12-23-13-10-21(11-14-23)18-16-22-24(17-8-6-5-7-9-17)19(18)15-20(25-2)26-21/h5-9,16,20H,3-4,10-15H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8	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 receptor after 180 mins by scintillation counting				J Med Chem 54: 6704-13 (2011) Article DOI: 10.1021/jm200585k BindingDB Entry DOI: 10.7270/Q22R3SN0
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50353627 (CHEMBL1829672) Show SMILES Cn1ncc2c1CCOC21CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C18H23N3O/c1-20-17-7-12-22-18(16(17)13-19-20)8-10-21(11-9-18)14-15-5-3-2-4-6-15/h2-6,13H,7-12,14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9.20	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 receptor after 180 mins by scintillation counting				J Med Chem 54: 6704-13 (2011) Article DOI: 10.1021/jm200585k BindingDB Entry DOI: 10.7270/Q22R3SN0
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50353623 (CHEMBL1829668) Show SMILES Cn1ncc2c1C=COC21CCN(Cc2ccccc2)CC1 |c:7| Show InChI InChI=1S/C18H21N3O/c1-20-17-7-12-22-18(16(17)13-19-20)8-10-21(11-9-18)14-15-5-3-2-4-6-15/h2-7,12-13H,8-11,14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	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 receptor after 180 mins by scintillation counting				J Med Chem 54: 6704-13 (2011) Article DOI: 10.1021/jm200585k BindingDB Entry DOI: 10.7270/Q22R3SN0
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50353629 (CHEMBL1829674) Show SMILES CC(=C)CCN1CCC2(CC1)OCCc1c2cnn1C Show InChI InChI=1S/C16H25N3O/c1-13(2)4-8-19-9-6-16(7-10-19)14-12-17-18(3)15(14)5-11-20-16/h12H,1,4-11H2,2-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	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 receptor after 180 mins by scintillation counting				J Med Chem 54: 6704-13 (2011) Article DOI: 10.1021/jm200585k BindingDB Entry DOI: 10.7270/Q22R3SN0
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50321792 (1'-methyl-1-(3-phenylpropyl)-6',7'-dihydro-1'H-spi...) Show SMILES Cn1ncc2c1CCOC21CCN(CCCc2ccccc2)CC1 Show InChI InChI=1S/C20H27N3O/c1-22-19-9-15-24-20(18(19)16-21-22)10-13-23(14-11-20)12-5-8-17-6-3-2-4-7-17/h2-4,6-7,16H,5,8-15H2,1H3	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 receptor after 180 mins by scintillation counting				J Med Chem 54: 6704-13 (2011) Article DOI: 10.1021/jm200585k BindingDB Entry DOI: 10.7270/Q22R3SN0
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50353620 (CHEMBL1829664) Show SMILES COC1Cc2c(cnn2C)C2(CCN(CCC(C)C)CC2)O1 Show InChI InChI=1S/C17H29N3O2/c1-13(2)5-8-20-9-6-17(7-10-20)14-12-18-19(3)15(14)11-16(21-4)22-17/h12-13,16H,5-11H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	18	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 receptor after 180 mins by scintillation counting				J Med Chem 54: 6704-13 (2011) Article DOI: 10.1021/jm200585k BindingDB Entry DOI: 10.7270/Q22R3SN0
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50321783 ((R)-1-benzyl-6'-methoxy-1'-methyl-6',7'-dihydro-1'...) Show SMILES CO[C@H]1Cc2c(cnn2C)C2(CCN(Cc3ccccc3)CC2)O1 |r| Show InChI InChI=1S/C19H25N3O2/c1-21-17-12-18(23-2)24-19(16(17)13-20-21)8-10-22(11-9-19)14-15-6-4-3-5-7-15/h3-7,13,18H,8-12,14H2,1-2H3/t18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	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 receptor after 180 mins by scintillation counting				J Med Chem 54: 6704-13 (2011) Article DOI: 10.1021/jm200585k BindingDB Entry DOI: 10.7270/Q22R3SN0
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50353618 (CHEMBL1829661) Show SMILES COC1Cc2c(cnn2C)C2(CCN(Cc3ccc(F)cc3)CC2)O1 Show InChI InChI=1S/C19H24FN3O2/c1-22-17-11-18(24-2)25-19(16(17)12-21-22)7-9-23(10-8-19)13-14-3-5-15(20)6-4-14/h3-6,12,18H,7-11,13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	21	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 receptor after 180 mins by scintillation counting				J Med Chem 54: 6704-13 (2011) Article DOI: 10.1021/jm200585k BindingDB Entry DOI: 10.7270/Q22R3SN0
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50353631 (CHEMBL1829665) Show SMILES OC1Cc2c(cnn2-c2ccccc2)C2(CCN(Cc3ccccc3)CC2)O1 Show InChI InChI=1S/C23H25N3O2/c27-22-15-21-20(16-24-26(21)19-9-5-2-6-10-19)23(28-22)11-13-25(14-12-23)17-18-7-3-1-4-8-18/h1-10,16,22,27H,11-15,17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 receptor after 180 mins by scintillation counting				J Med Chem 54: 6704-13 (2011) Article DOI: 10.1021/jm200585k BindingDB Entry DOI: 10.7270/Q22R3SN0
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50353628 (CHEMBL1829673) Show SMILES CC(C)CCN1CCC2(CC1)OCCc1c2cnn1C Show InChI InChI=1S/C16H27N3O/c1-13(2)4-8-19-9-6-16(7-10-19)14-12-17-18(3)15(14)5-11-20-16/h12-13H,4-11H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	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 receptor after 180 mins by scintillation counting				J Med Chem 54: 6704-13 (2011) Article DOI: 10.1021/jm200585k BindingDB Entry DOI: 10.7270/Q22R3SN0
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50321780 ((R)-6'-methoxy-1'-phenyl-1-propyl-6',7'-dihydro-1'...) Show SMILES CCCN1CCC2(CC1)O[C@H](Cc1c2cnn1-c1ccccc1)OC |r| Show InChI InChI=1S/C20H27N3O2/c1-3-11-22-12-9-20(10-13-22)17-15-21-23(16-7-5-4-6-8-16)18(17)14-19(24-2)25-20/h4-8,15,19H,3,9-14H2,1-2H3/t19-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	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 receptor after 180 mins by scintillation counting				J Med Chem 54: 6704-13 (2011) Article DOI: 10.1021/jm200585k BindingDB Entry DOI: 10.7270/Q22R3SN0
					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 receptor after 180 mins by scintillation counting				J Med Chem 54: 6704-13 (2011) Article DOI: 10.1021/jm200585k BindingDB Entry DOI: 10.7270/Q22R3SN0
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50353619 (CHEMBL1829662) Show SMILES COC1Cc2c(cnn2C)C2(CCN(CCCc3ccccc3)CC2)O1 Show InChI InChI=1S/C21H29N3O2/c1-23-19-15-20(25-2)26-21(18(19)16-22-23)10-13-24(14-11-21)12-6-9-17-7-4-3-5-8-17/h3-5,7-8,16,20H,6,9-15H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	93	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 receptor after 180 mins by scintillation counting				J Med Chem 54: 6704-13 (2011) Article DOI: 10.1021/jm200585k BindingDB Entry DOI: 10.7270/Q22R3SN0
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50353621 (CHEMBL1829666) Show SMILES Cn1ncc2c1CC(O)OC21CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C18H23N3O2/c1-20-16-11-17(22)23-18(15(16)12-19-20)7-9-21(10-8-18)13-14-5-3-2-4-6-14/h2-6,12,17,22H,7-11,13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	190	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 receptor after 180 mins by scintillation counting				J Med Chem 54: 6704-13 (2011) Article DOI: 10.1021/jm200585k BindingDB Entry DOI: 10.7270/Q22R3SN0
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50321781 ((R)-1-isopropyl-6'-methoxy-1'-phenyl-6',7'-dihydro...) Show SMILES CO[C@H]1Cc2c(cnn2-c2ccccc2)C2(CCN(CC2)C(C)C)O1 |r| Show InChI InChI=1S/C20H27N3O2/c1-15(2)22-11-9-20(10-12-22)17-14-21-23(16-7-5-4-6-8-16)18(17)13-19(24-3)25-20/h4-8,14-15,19H,9-13H2,1-3H3/t19-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	210	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 receptor after 180 mins by scintillation counting				J Med Chem 54: 6704-13 (2011) Article DOI: 10.1021/jm200585k BindingDB Entry DOI: 10.7270/Q22R3SN0
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM8903 ((1S,2R,10S,11S,14S,15S)-14-acetyl-2,15-dimethyltet...) Show SMILES [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:20| Show InChI InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	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 receptor after 180 mins by scintillation counting				J Med Chem 54: 6704-13 (2011) Article DOI: 10.1021/jm200585k BindingDB Entry DOI: 10.7270/Q22R3SN0
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50321784 ((R)-6'-methoxy-1'-methyl-1-propyl-6',7'-dihydro-1'...) Show SMILES CCCN1CCC2(CC1)O[C@H](Cc1c2cnn1C)OC |r| Show InChI InChI=1S/C15H25N3O2/c1-4-7-18-8-5-15(6-9-18)12-11-16-17(2)13(12)10-14(19-3)20-15/h11,14H,4-10H2,1-3H3/t14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	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 receptor after 180 mins by scintillation counting				J Med Chem 54: 6704-13 (2011) Article DOI: 10.1021/jm200585k BindingDB Entry DOI: 10.7270/Q22R3SN0
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50353606 (CHEMBL1829567) Show SMILES COC1Cc2c(cnn2-c2ccccc2)C2(CCNCC2)O1 Show InChI InChI=1S/C17H21N3O2/c1-21-16-11-15-14(17(22-16)7-9-18-10-8-17)12-19-20(15)13-5-3-2-4-6-13/h2-6,12,16,18H,7-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+3	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 receptor after 180 mins by scintillation counting				J Med Chem 54: 6704-13 (2011) Article DOI: 10.1021/jm200585k BindingDB Entry DOI: 10.7270/Q22R3SN0
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50321779 ((R)-1-isobutyl-6'-methoxy-1'-phenyl-6',7'-dihydro-...) Show SMILES CO[C@H]1Cc2c(cnn2-c2ccccc2)C2(CCN(CC(C)C)CC2)O1 |r| Show InChI InChI=1S/C21H29N3O2/c1-16(2)15-23-11-9-21(10-12-23)18-14-22-24(17-7-5-4-6-8-17)19(18)13-20(25-3)26-21/h4-8,14,16,20H,9-13,15H2,1-3H3/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	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 alpha-1A adrenergic receptor				J Med Chem 54: 6704-13 (2011) Article DOI: 10.1021/jm200585k BindingDB Entry DOI: 10.7270/Q22R3SN0
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50321778 ((R)-1-benzyl-6'-methoxy-1'-phenyl-6',7'-dihydro-1'...) Show SMILES CO[C@H]1Cc2c(cnn2-c2ccccc2)C2(CCN(Cc3ccccc3)CC2)O1 |r| Show InChI InChI=1S/C24H27N3O2/c1-28-23-16-22-21(17-25-27(22)20-10-6-3-7-11-20)24(29-23)12-14-26(15-13-24)18-19-8-4-2-5-9-19/h2-11,17,23H,12-16,18H2,1H3/t23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	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 alpha-1A adrenergic receptor				J Med Chem 54: 6704-13 (2011) Article DOI: 10.1021/jm200585k BindingDB Entry DOI: 10.7270/Q22R3SN0
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50353617 (CHEMBL1829659) Show SMILES CCCCCCCCN1CCC2(CC1)OC(Cc1c2cnn1-c1ccccc1)OC Show InChI InChI=1S/C25H37N3O2/c1-3-4-5-6-7-11-16-27-17-14-25(15-18-27)22-20-26-28(21-12-9-8-10-13-21)23(22)19-24(29-2)30-25/h8-10,12-13,20,24H,3-7,11,14-19H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+3	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 alpha-1A adrenergic receptor				J Med Chem 54: 6704-13 (2011) Article DOI: 10.1021/jm200585k BindingDB Entry DOI: 10.7270/Q22R3SN0
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50321778 ((R)-1-benzyl-6'-methoxy-1'-phenyl-6',7'-dihydro-1'...) Show SMILES CO[C@H]1Cc2c(cnn2-c2ccccc2)C2(CCN(Cc3ccccc3)CC2)O1 |r| Show InChI InChI=1S/C24H27N3O2/c1-28-23-16-22-21(17-25-27(22)20-10-6-3-7-11-20)24(29-23)12-14-26(15-13-24)18-19-8-4-2-5-9-19/h2-11,17,23H,12-16,18H2,1H3/t23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	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 alpha-2A adrenergic receptor				J Med Chem 54: 6704-13 (2011) Article DOI: 10.1021/jm200585k BindingDB Entry DOI: 10.7270/Q22R3SN0
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50353612 (CHEMBL1829574) Show SMILES COC1Cc2c(cnn2-c2ccccc2)C2(CCN(CC3CCCCC3)CC2)O1 Show InChI InChI=1S/C24H33N3O2/c1-28-23-16-22-21(17-25-27(22)20-10-6-3-7-11-20)24(29-23)12-14-26(15-13-24)18-19-8-4-2-5-9-19/h3,6-7,10-11,17,19,23H,2,4-5,8-9,12-16,18H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+3	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 alpha-2A adrenergic receptor				J Med Chem 54: 6704-13 (2011) Article DOI: 10.1021/jm200585k BindingDB Entry DOI: 10.7270/Q22R3SN0
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50321779 ((R)-1-isobutyl-6'-methoxy-1'-phenyl-6',7'-dihydro-...) Show SMILES CO[C@H]1Cc2c(cnn2-c2ccccc2)C2(CCN(CC(C)C)CC2)O1 |r| Show InChI InChI=1S/C21H29N3O2/c1-16(2)15-23-11-9-21(10-12-23)18-14-22-24(17-7-5-4-6-8-17)19(18)13-20(25-3)26-21/h4-8,14,16,20H,9-13,15H2,1-3H3/t20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	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 alpha-2A adrenergic receptor				J Med Chem 54: 6704-13 (2011) Article DOI: 10.1021/jm200585k BindingDB Entry DOI: 10.7270/Q22R3SN0
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50353615 (CHEMBL1829580) Show SMILES COC1Cc2c(cnn2-c2ccccc2)C2(CCN(CCC(C)C)CC2)O1 Show InChI InChI=1S/C22H31N3O2/c1-17(2)9-12-24-13-10-22(11-14-24)19-16-23-25(18-7-5-4-6-8-18)20(19)15-21(26-3)27-22/h4-8,16-17,21H,9-15H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+3	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 alpha-2A adrenergic receptor				J Med Chem 54: 6704-13 (2011) Article DOI: 10.1021/jm200585k BindingDB Entry DOI: 10.7270/Q22R3SN0
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50353617 (CHEMBL1829659) Show SMILES CCCCCCCCN1CCC2(CC1)OC(Cc1c2cnn1-c1ccccc1)OC Show InChI InChI=1S/C25H37N3O2/c1-3-4-5-6-7-11-16-27-17-14-25(15-18-27)22-20-26-28(21-12-9-8-10-13-21)23(22)19-24(29-2)30-25/h8-10,12-13,20,24H,3-7,11,14-19H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+3	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 alpha-2A adrenergic receptor				J Med Chem 54: 6704-13 (2011) Article DOI: 10.1021/jm200585k BindingDB Entry DOI: 10.7270/Q22R3SN0
					More data for this Ligand-Target Pair

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