Compile Data Set for Download or QSAR

Found 40 hits with Last Name = 'grosse maestrup' and Initial = 'e'   

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))	BDBM50361993 (CHEMBL1939700) Show SMILES FCC1OC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc12 Show InChI InChI=1S/C20H21F2NO/c21-13-19-17-3-1-2-4-18(17)20(24-19)9-11-23(12-10-20)14-15-5-7-16(22)8-6-15/h1-8,19H,9-14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Radiopharmacy Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain homogenates after 180 mins by solid scintillation counting				Bioorg Med Chem 20: 257-69 (2011) Article DOI: 10.1016/j.bmc.2011.11.002 BindingDB Entry DOI: 10.7270/Q2NG4R2V
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50259004 (1'-[4-Fluorobenzyl]-3H-spiro[[2]benzofuran-1,4'pip...) Show SMILES Fc1ccc(CN2CCC3(CC2)OCc2ccccc32)cc1 Show InChI InChI=1S/C19H20FNO/c20-17-7-5-15(6-8-17)13-21-11-9-19(10-12-21)18-4-2-1-3-16(18)14-22-19/h1-8H,9-14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Pharmazeutische und Medizinische Chemie der Universität Münster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane by solid scintillation analysis				Bioorg Med Chem 17: 3630-41 (2009) Article DOI: 10.1016/j.bmc.2009.03.060 BindingDB Entry DOI: 10.7270/Q2BZ65XT
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50334158 (1'-benzyl-3-(2-fluoroethyl)-3H-spiro[[2]benzofuran...) Show SMILES FCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12 Show InChI InChI=1S/C21H24FNO/c22-13-10-20-18-8-4-5-9-19(18)21(24-20)11-14-23(15-12-21)16-17-6-2-1-3-7-17/h1-9,20H,10-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Radiopharmacy Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain homogenates after 180 mins by solid scintillation counting				Bioorg Med Chem 20: 257-69 (2011) Article DOI: 10.1016/j.bmc.2011.11.002 BindingDB Entry DOI: 10.7270/Q2NG4R2V
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50361998 (CHEMBL1939698) Show SMILES FCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12 Show InChI InChI=1S/C20H22FNO/c21-14-19-17-8-4-5-9-18(17)20(23-19)10-12-22(13-11-20)15-16-6-2-1-3-7-16/h1-9,19H,10-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Radiopharmacy Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain homogenates after 180 mins by solid scintillation counting				Bioorg Med Chem 20: 257-69 (2011) Article DOI: 10.1016/j.bmc.2011.11.002 BindingDB Entry DOI: 10.7270/Q2NG4R2V
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50259001 (1'-(4-Fluorobenzyl)-3-methoxy-3H-spiro[[2]benzofur...) Show SMILES COC1OC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc12 Show InChI InChI=1S/C20H22FNO2/c1-23-19-17-4-2-3-5-18(17)20(24-19)10-12-22(13-11-20)14-15-6-8-16(21)9-7-15/h2-9,19H,10-14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Pharmazeutische und Medizinische Chemie der Universität Münster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane by solid scintillation analysis				Bioorg Med Chem 17: 3630-41 (2009) Article DOI: 10.1016/j.bmc.2009.03.060 BindingDB Entry DOI: 10.7270/Q2BZ65XT
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50258915 (1'-(4-Fluorobenzyl)-3H-spiro[[2]benzofuran-1,4'-pi...) Show SMILES Fc1ccc(CN2CCC3(CC2)OC(C#N)c2ccccc32)cc1 Show InChI InChI=1S/C20H19FN2O/c21-16-7-5-15(6-8-16)14-23-11-9-20(10-12-23)18-4-2-1-3-17(18)19(13-22)24-20/h1-8,19H,9-12,14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.860	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Pharmazeutische und Medizinische Chemie der Universität Münster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane by solid scintillation analysis				Bioorg Med Chem 17: 3630-41 (2009) Article DOI: 10.1016/j.bmc.2009.03.060 BindingDB Entry DOI: 10.7270/Q2BZ65XT
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Homo sapiens (Human))	BDBM50299280 (1'-benzyl-3-(3-fluoropropyl)-3H-spiro[[2]benzofura...) Show SMILES FCCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12 Show InChI InChI=1S/C22H26FNO/c23-14-6-11-21-19-9-4-5-10-20(19)22(25-21)12-15-24(16-13-22)17-18-7-2-1-3-8-18/h1-5,7-10,21H,6,11-17H2	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Radiopharmacy Curated by ChEMBL					Assay Description Binding affinity to VAChT				Bioorg Med Chem 20: 257-69 (2011) Article DOI: 10.1016/j.bmc.2011.11.002 BindingDB Entry DOI: 10.7270/Q2NG4R2V
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Homo sapiens (Human))	BDBM50361992 (CHEMBL1939699) Show SMILES FCCCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12 Show InChI InChI=1S/C23H28FNO/c24-15-7-6-12-22-20-10-4-5-11-21(20)23(26-22)13-16-25(17-14-23)18-19-8-2-1-3-9-19/h1-5,8-11,22H,6-7,12-18H2	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Radiopharmacy Curated by ChEMBL					Assay Description Binding affinity to VAChT				Bioorg Med Chem 20: 257-69 (2011) Article DOI: 10.1016/j.bmc.2011.11.002 BindingDB Entry DOI: 10.7270/Q2NG4R2V
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50361994 (CHEMBL1939701) Show SMILES CC1OC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc12 Show InChI InChI=1S/C20H22FNO/c1-15-18-4-2-3-5-19(18)20(23-15)10-12-22(13-11-20)14-16-6-8-17(21)9-7-16/h2-9,15H,10-14H2,1H3	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
Institute of Radiopharmacy Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain homogenates after 180 mins by solid scintillation counting				Bioorg Med Chem 20: 257-69 (2011) Article DOI: 10.1016/j.bmc.2011.11.002 BindingDB Entry DOI: 10.7270/Q2NG4R2V
					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 für Pharmazeutische und Medizinische Chemie der Universität Münster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane by solid scintillation analysis				Bioorg Med Chem 17: 3630-41 (2009) Article DOI: 10.1016/j.bmc.2009.03.060 BindingDB Entry DOI: 10.7270/Q2BZ65XT
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50361992 (CHEMBL1939699) Show SMILES FCCCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12 Show InChI InChI=1S/C23H28FNO/c24-15-7-6-12-22-20-10-4-5-11-21(20)23(26-22)13-16-25(17-14-23)18-19-8-2-1-3-9-19/h1-5,8-11,22H,6-7,12-18H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Radiopharmacy Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain homogenates after 180 mins by solid scintillation counting				Bioorg Med Chem 20: 257-69 (2011) Article DOI: 10.1016/j.bmc.2011.11.002 BindingDB Entry DOI: 10.7270/Q2NG4R2V
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50258916 (3-Allyl-1'-(4-fluorobenzyl)-3H-spiro[[2]benzofuran...) Show SMILES Fc1ccc(CN2CCC3(CC2)OC(CC=C)c2ccccc32)cc1 Show InChI InChI=1S/C22H24FNO/c1-2-5-21-19-6-3-4-7-20(19)22(25-21)12-14-24(15-13-22)16-17-8-10-18(23)11-9-17/h2-4,6-11,21H,1,5,12-16H2	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 für Pharmazeutische und Medizinische Chemie der Universität Münster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane by solid scintillation analysis				Bioorg Med Chem 17: 3630-41 (2009) Article DOI: 10.1016/j.bmc.2009.03.060 BindingDB Entry DOI: 10.7270/Q2BZ65XT
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50299280 (1'-benzyl-3-(3-fluoropropyl)-3H-spiro[[2]benzofura...) Show SMILES FCCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12 Show InChI InChI=1S/C22H26FNO/c23-14-6-11-21-19-9-4-5-10-20(19)22(25-21)12-15-24(16-13-22)17-18-7-2-1-3-8-18/h1-5,7-10,21H,6,11-17H2	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
Institute of Radiopharmacy Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain homogenates after 180 mins by solid scintillation counting				Bioorg Med Chem 20: 257-69 (2011) Article DOI: 10.1016/j.bmc.2011.11.002 BindingDB Entry DOI: 10.7270/Q2NG4R2V
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Homo sapiens (Human))	BDBM50334158 (1'-benzyl-3-(2-fluoroethyl)-3H-spiro[[2]benzofuran...) Show SMILES FCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12 Show InChI InChI=1S/C21H24FNO/c22-13-10-20-18-8-4-5-9-19(18)21(24-20)11-14-23(15-12-21)16-17-6-2-1-3-7-17/h1-9,20H,10-16H2	KEGG UniProtKB/SwissProt antibodypedia 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
Institute of Radiopharmacy Curated by ChEMBL					Assay Description Binding affinity to VAChT				Bioorg Med Chem 20: 257-69 (2011) Article DOI: 10.1016/j.bmc.2011.11.002 BindingDB Entry DOI: 10.7270/Q2NG4R2V
					More data for this Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase (Homo sapiens (Human))	BDBM50338990 (1-(3,4-dimethoxyphenethyl)-4-(3-phenylpropyl)piper...) Show SMILES COc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1OC Show InChI InChI=1S/C23H32N2O2/c1-26-22-11-10-21(19-23(22)27-2)12-14-25-17-15-24(16-18-25)13-6-9-20-7-4-3-5-8-20/h3-5,7-8,10-11,19H,6,9,12-18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Radiopharmacy Curated by ChEMBL					Assay Description Binding affinity to EBP				Bioorg Med Chem 20: 257-69 (2011) Article DOI: 10.1016/j.bmc.2011.11.002 BindingDB Entry DOI: 10.7270/Q2NG4R2V
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50361997 (CHEMBL1939704) Show SMILES Cc1ccc(cc1)S(=O)(=O)OCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12 Show InChI InChI=1S/C27H29NO4S/c1-21-11-13-23(14-12-21)33(29,30)31-20-26-24-9-5-6-10-25(24)27(32-26)15-17-28(18-16-27)19-22-7-3-2-4-8-22/h2-14,26H,15-20H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Radiopharmacy Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain homogenates after 180 mins by solid scintillation counting				Bioorg Med Chem 20: 257-69 (2011) Article DOI: 10.1016/j.bmc.2011.11.002 BindingDB Entry DOI: 10.7270/Q2NG4R2V
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50259002 (1'-(4-Fluorobenzyl)-3H-spiro[[2]benzofuran-1,4'-pi...) Show SMILES OC1OC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc12 Show InChI InChI=1S/C19H20FNO2/c20-15-7-5-14(6-8-15)13-21-11-9-19(10-12-21)17-4-2-1-3-16(17)18(22)23-19/h1-8,18,22H,9-13H2	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 für Pharmazeutische und Medizinische Chemie der Universität Münster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane by solid scintillation analysis				Bioorg Med Chem 17: 3630-41 (2009) Article DOI: 10.1016/j.bmc.2009.03.060 BindingDB Entry DOI: 10.7270/Q2BZ65XT
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50361995 (CHEMBL1939702) Show SMILES CC(N1CCC2(CC1)OC(CF)c1ccccc21)c1ccccc1 Show InChI InChI=1S/C21H24FNO/c1-16(17-7-3-2-4-8-17)23-13-11-21(12-14-23)19-10-6-5-9-18(19)20(15-22)24-21/h2-10,16,20H,11-15H2,1H3	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
Institute of Radiopharmacy Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain homogenates after 180 mins by solid scintillation counting				Bioorg Med Chem 20: 257-69 (2011) Article DOI: 10.1016/j.bmc.2011.11.002 BindingDB Entry DOI: 10.7270/Q2NG4R2V
					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 für Pharmazeutische und Medizinische Chemie der Universität Münster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane by solid scintillation analysis				Bioorg Med Chem 17: 3630-41 (2009) Article DOI: 10.1016/j.bmc.2009.03.060 BindingDB Entry DOI: 10.7270/Q2BZ65XT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50120482 (1'-benzylspiro[1,3-dihydroisobenzofuran-1,4'-(hexa...) Show SMILES OCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12 Show InChI InChI=1S/C20H23NO2/c22-15-19-17-8-4-5-9-18(17)20(23-19)10-12-21(13-11-20)14-16-6-2-1-3-7-16/h1-9,19,22H,10-15H2	PDB UniProtKB/SwissProt 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
Institute of Radiopharmacy Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain homogenates after 180 mins by solid scintillation counting				Bioorg Med Chem 20: 257-69 (2011) Article DOI: 10.1016/j.bmc.2011.11.002 BindingDB Entry DOI: 10.7270/Q2NG4R2V
					More data for this Ligand-Target Pair
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	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Radiopharmacy Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain homogenates after 180 mins by solid scintillation counting				Bioorg Med Chem 20: 257-69 (2011) Article DOI: 10.1016/j.bmc.2011.11.002 BindingDB Entry DOI: 10.7270/Q2NG4R2V
					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	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Radiopharmacy Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain homogenates after 180 mins by solid scintillation counting				Bioorg Med Chem 20: 257-69 (2011) Article DOI: 10.1016/j.bmc.2011.11.002 BindingDB Entry DOI: 10.7270/Q2NG4R2V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50259003 (1'-(4-Fluorobenzyl)spiro[[2]benzofuran-1,4'-piperi...) Show SMILES Fc1ccc(CN2CCC3(CC2)OC(=O)c2ccccc32)cc1 Show InChI InChI=1S/C19H18FNO2/c20-15-7-5-14(6-8-15)13-21-11-9-19(10-12-21)17-4-2-1-3-16(17)18(22)23-19/h1-8H,9-13H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Pharmazeutische und Medizinische Chemie der Universität Münster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane by solid scintillation analysis				Bioorg Med Chem 17: 3630-41 (2009) Article DOI: 10.1016/j.bmc.2009.03.060 BindingDB Entry DOI: 10.7270/Q2BZ65XT
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50361996 (CHEMBL1939703) Show SMILES CC(N1CCC2(CC1)OC(C)c1ccccc21)c1ccccc1 Show InChI InChI=1S/C21H25NO/c1-16(18-8-4-3-5-9-18)22-14-12-21(13-15-22)20-11-7-6-10-19(20)17(2)23-21/h3-11,16-17H,12-15H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Radiopharmacy Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain homogenates after 180 mins by solid scintillation counting				Bioorg Med Chem 20: 257-69 (2011) Article DOI: 10.1016/j.bmc.2011.11.002 BindingDB Entry DOI: 10.7270/Q2NG4R2V
					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 Universität Münster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane by solid scintillation analysis				Bioorg Med Chem 17: 3630-41 (2009) Article DOI: 10.1016/j.bmc.2009.03.060 BindingDB Entry DOI: 10.7270/Q2BZ65XT
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50361998 (CHEMBL1939698) Show SMILES FCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12 Show InChI InChI=1S/C20H22FNO/c21-14-19-17-8-4-5-9-18(17)20(23-19)10-12-22(13-11-20)15-16-6-2-1-3-7-16/h1-9,19H,10-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	152	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Radiopharmacy Curated by ChEMBL					Assay Description Binding affinity to delta opioid receptor				Bioorg Med Chem 20: 257-69 (2011) Article DOI: 10.1016/j.bmc.2011.11.002 BindingDB Entry DOI: 10.7270/Q2NG4R2V
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50299280 (1'-benzyl-3-(3-fluoropropyl)-3H-spiro[[2]benzofura...) Show SMILES FCCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12 Show InChI InChI=1S/C22H26FNO/c23-14-6-11-21-19-9-4-5-10-20(19)22(25-21)12-15-24(16-13-22)17-18-7-2-1-3-8-18/h1-5,7-10,21H,6,11-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	209	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Radiopharmacy Curated by ChEMBL					Assay Description Binding affinity to delta opioid receptor				Bioorg Med Chem 20: 257-69 (2011) Article DOI: 10.1016/j.bmc.2011.11.002 BindingDB Entry DOI: 10.7270/Q2NG4R2V
					More data for this Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase (Homo sapiens (Human))	BDBM50334158 (1'-benzyl-3-(2-fluoroethyl)-3H-spiro[[2]benzofuran...) Show SMILES FCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12 Show InChI InChI=1S/C21H24FNO/c22-13-10-20-18-8-4-5-9-19(18)21(24-20)11-14-23(15-12-21)16-17-6-2-1-3-7-17/h1-9,20H,10-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	211	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Radiopharmacy Curated by ChEMBL					Assay Description Binding affinity to EBP				Bioorg Med Chem 20: 257-69 (2011) Article DOI: 10.1016/j.bmc.2011.11.002 BindingDB Entry DOI: 10.7270/Q2NG4R2V
					More data for this Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase (Homo sapiens (Human))	BDBM50361992 (CHEMBL1939699) Show SMILES FCCCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12 Show InChI InChI=1S/C23H28FNO/c24-15-7-6-12-22-20-10-4-5-11-21(20)23(26-22)13-16-25(17-14-23)18-19-8-2-1-3-9-19/h1-5,8-11,22H,6-7,12-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	233	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Radiopharmacy Curated by ChEMBL					Assay Description Binding affinity to EBP				Bioorg Med Chem 20: 257-69 (2011) Article DOI: 10.1016/j.bmc.2011.11.002 BindingDB Entry DOI: 10.7270/Q2NG4R2V
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50299280 (1'-benzyl-3-(3-fluoropropyl)-3H-spiro[[2]benzofura...) Show SMILES FCCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12 Show InChI InChI=1S/C22H26FNO/c23-14-6-11-21-19-9-4-5-10-20(19)22(25-21)12-15-24(16-13-22)17-18-7-2-1-3-8-18/h1-5,7-10,21H,6,11-17H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	246	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Radiopharmacy Curated by ChEMBL					Assay Description Binding affinity to mu opioid receptor				Bioorg Med Chem 20: 257-69 (2011) Article DOI: 10.1016/j.bmc.2011.11.002 BindingDB Entry DOI: 10.7270/Q2NG4R2V
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50299280 (1'-benzyl-3-(3-fluoropropyl)-3H-spiro[[2]benzofura...) Show SMILES FCCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12 Show InChI InChI=1S/C22H26FNO/c23-14-6-11-21-19-9-4-5-10-20(19)22(25-21)12-15-24(16-13-22)17-18-7-2-1-3-8-18/h1-5,7-10,21H,6,11-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	368	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Radiopharmacy Curated by ChEMBL					Assay Description Binding affinity to kappa opioid receptor				Bioorg Med Chem 20: 257-69 (2011) Article DOI: 10.1016/j.bmc.2011.11.002 BindingDB Entry DOI: 10.7270/Q2NG4R2V
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50334158 (1'-benzyl-3-(2-fluoroethyl)-3H-spiro[[2]benzofuran...) Show SMILES FCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12 Show InChI InChI=1S/C21H24FNO/c22-13-10-20-18-8-4-5-9-19(18)21(24-20)11-14-23(15-12-21)16-17-6-2-1-3-7-17/h1-9,20H,10-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	372	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Radiopharmacy Curated by ChEMBL					Assay Description Binding affinity to kappa opioid receptor				Bioorg Med Chem 20: 257-69 (2011) Article DOI: 10.1016/j.bmc.2011.11.002 BindingDB Entry DOI: 10.7270/Q2NG4R2V
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50361992 (CHEMBL1939699) Show SMILES FCCCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12 Show InChI InChI=1S/C23H28FNO/c24-15-7-6-12-22-20-10-4-5-11-21(20)23(26-22)13-16-25(17-14-23)18-19-8-2-1-3-9-19/h1-5,8-11,22H,6-7,12-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	419	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Radiopharmacy Curated by ChEMBL					Assay Description Binding affinity to kappa opioid receptor				Bioorg Med Chem 20: 257-69 (2011) Article DOI: 10.1016/j.bmc.2011.11.002 BindingDB Entry DOI: 10.7270/Q2NG4R2V
					More data for this Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase (Homo sapiens (Human))	BDBM50299280 (1'-benzyl-3-(3-fluoropropyl)-3H-spiro[[2]benzofura...) Show SMILES FCCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12 Show InChI InChI=1S/C22H26FNO/c23-14-6-11-21-19-9-4-5-10-20(19)22(25-21)12-15-24(16-13-22)17-18-7-2-1-3-8-18/h1-5,7-10,21H,6,11-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	455	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Radiopharmacy Curated by ChEMBL					Assay Description Binding affinity to EBP				Bioorg Med Chem 20: 257-69 (2011) Article DOI: 10.1016/j.bmc.2011.11.002 BindingDB Entry DOI: 10.7270/Q2NG4R2V
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50334158 (1'-benzyl-3-(2-fluoroethyl)-3H-spiro[[2]benzofuran...) Show SMILES FCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12 Show InChI InChI=1S/C21H24FNO/c22-13-10-20-18-8-4-5-9-19(18)21(24-20)11-14-23(15-12-21)16-17-6-2-1-3-7-17/h1-9,20H,10-16H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	456	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Radiopharmacy Curated by ChEMBL					Assay Description Binding affinity to mu opioid receptor				Bioorg Med Chem 20: 257-69 (2011) Article DOI: 10.1016/j.bmc.2011.11.002 BindingDB Entry DOI: 10.7270/Q2NG4R2V
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50361998 (CHEMBL1939698) Show SMILES FCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12 Show InChI InChI=1S/C20H22FNO/c21-14-19-17-8-4-5-9-18(17)20(23-19)10-12-22(13-11-20)15-16-6-2-1-3-7-16/h1-9,19H,10-15H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	481	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Radiopharmacy Curated by ChEMBL					Assay Description Binding affinity to mu opioid receptor				Bioorg Med Chem 20: 257-69 (2011) Article DOI: 10.1016/j.bmc.2011.11.002 BindingDB Entry DOI: 10.7270/Q2NG4R2V
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50361992 (CHEMBL1939699) Show SMILES FCCCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12 Show InChI InChI=1S/C23H28FNO/c24-15-7-6-12-22-20-10-4-5-11-21(20)23(26-22)13-16-25(17-14-23)18-19-8-2-1-3-9-19/h1-5,8-11,22H,6-7,12-18H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	605	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Radiopharmacy Curated by ChEMBL					Assay Description Binding affinity to mu opioid receptor				Bioorg Med Chem 20: 257-69 (2011) Article DOI: 10.1016/j.bmc.2011.11.002 BindingDB Entry DOI: 10.7270/Q2NG4R2V
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50361998 (CHEMBL1939698) Show SMILES FCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12 Show InChI InChI=1S/C20H22FNO/c21-14-19-17-8-4-5-9-18(17)20(23-19)10-12-22(13-11-20)15-16-6-2-1-3-7-16/h1-9,19H,10-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	918	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Radiopharmacy Curated by ChEMBL					Assay Description Binding affinity to kappa opioid receptor				Bioorg Med Chem 20: 257-69 (2011) Article DOI: 10.1016/j.bmc.2011.11.002 BindingDB Entry DOI: 10.7270/Q2NG4R2V
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50334158 (1'-benzyl-3-(2-fluoroethyl)-3H-spiro[[2]benzofuran...) Show SMILES FCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12 Show InChI InChI=1S/C21H24FNO/c22-13-10-20-18-8-4-5-9-19(18)21(24-20)11-14-23(15-12-21)16-17-6-2-1-3-7-17/h1-9,20H,10-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Institute of Radiopharmacy Curated by ChEMBL					Assay Description Binding affinity to delta opioid receptor				Bioorg Med Chem 20: 257-69 (2011) Article DOI: 10.1016/j.bmc.2011.11.002 BindingDB Entry DOI: 10.7270/Q2NG4R2V
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50361992 (CHEMBL1939699) Show SMILES FCCCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12 Show InChI InChI=1S/C23H28FNO/c24-15-7-6-12-22-20-10-4-5-11-21(20)23(26-22)13-16-25(17-14-23)18-19-8-2-1-3-9-19/h1-5,8-11,22H,6-7,12-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Institute of Radiopharmacy Curated by ChEMBL					Assay Description Binding affinity to delta opioid receptor				Bioorg Med Chem 20: 257-69 (2011) Article DOI: 10.1016/j.bmc.2011.11.002 BindingDB Entry DOI: 10.7270/Q2NG4R2V
					More data for this Ligand-Target Pair