Compile Data Set for Download or QSAR

Found 33 hits Enz. Inhib. hit(s) with all data for entry = 50044214   

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))	BDBM50009304 (CHEMBL3233531) Show SMILES OCC[C@@H]1CN(CC2CCCCC2)CCN1Cc1cccc2ccccc12 |r| Show InChI InChI=1S/C24H34N2O/c27-16-13-23-19-25(17-20-7-2-1-3-8-20)14-15-26(23)18-22-11-6-10-21-9-4-5-12-24(21)22/h4-6,9-12,20,23,27H,1-3,7-8,13-19H2/t23-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain cortex membranes after 120 mins by scintillation counting analysis				J Med Chem 57: 2884-94 (2014) Article DOI: 10.1021/jm401707t BindingDB Entry DOI: 10.7270/Q2T15562
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50009303 (CHEMBL3233530) Show SMILES OCC[C@H]1CN(CC2CCCCC2)CCN1Cc1cccc2ccccc12 |r| Show InChI InChI=1S/C24H34N2O/c27-16-13-23-19-25(17-20-7-2-1-3-8-20)14-15-26(23)18-22-11-6-10-21-9-4-5-12-24(21)22/h4-6,9-12,20,23,27H,1-3,7-8,13-19H2/t23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain cortex membranes after 120 mins by scintillation counting analysis				J Med Chem 57: 2884-94 (2014) Article DOI: 10.1021/jm401707t BindingDB Entry DOI: 10.7270/Q2T15562
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50009302 (CHEMBL3233529) Show SMILES OCC[C@@H]1CN(CC2CCCCC2)CCN1Cc1ccccc1 |r| Show InChI InChI=1S/C20H32N2O/c23-14-11-20-17-21(15-18-7-3-1-4-8-18)12-13-22(20)16-19-9-5-2-6-10-19/h2,5-6,9-10,18,20,23H,1,3-4,7-8,11-17H2/t20-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain cortex membranes after 120 mins by scintillation counting analysis				J Med Chem 57: 2884-94 (2014) Article DOI: 10.1021/jm401707t BindingDB Entry DOI: 10.7270/Q2T15562
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50445477 (CHEMBL3104856) Show SMILES OCC[C@H]1CN(CC2CCCCC2)CCN1Cc1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C26H36N2O/c29-18-15-26-21-27(19-22-7-3-1-4-8-22)16-17-28(26)20-23-11-13-25(14-12-23)24-9-5-2-6-10-24/h2,5-6,9-14,22,26,29H,1,3-4,7-8,15-21H2/t26-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain cortex membranes after 120 mins by scintillation counting analysis				J Med Chem 57: 2884-94 (2014) Article DOI: 10.1021/jm401707t BindingDB Entry DOI: 10.7270/Q2T15562
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50009301 (CHEMBL3233528) Show SMILES OCC[C@H]1CN(CC2CCCCC2)CCN1Cc1ccccc1 |r| Show InChI InChI=1S/C20H32N2O/c23-14-11-20-17-21(15-18-7-3-1-4-8-18)12-13-22(20)16-19-9-5-2-6-10-19/h2,5-6,9-10,18,20,23H,1,3-4,7-8,11-17H2/t20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain cortex membranes after 120 mins by scintillation counting analysis				J Med Chem 57: 2884-94 (2014) Article DOI: 10.1021/jm401707t BindingDB Entry DOI: 10.7270/Q2T15562
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50009305 (CHEMBL3233532) Show SMILES OCC[C@H]1CN(CC2CCCCC2)CCN1Cc1ccc2ccccc2c1 |r| Show InChI InChI=1S/C24H34N2O/c27-15-12-24-19-25(17-20-6-2-1-3-7-20)13-14-26(24)18-21-10-11-22-8-4-5-9-23(22)16-21/h4-5,8-11,16,20,24,27H,1-3,6-7,12-15,17-19H2/t24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain cortex membranes after 120 mins by scintillation counting analysis				J Med Chem 57: 2884-94 (2014) Article DOI: 10.1021/jm401707t BindingDB Entry DOI: 10.7270/Q2T15562
					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	5.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain cortex membranes after 120 mins by scintillation counting analysis				J Med Chem 57: 2884-94 (2014) Article DOI: 10.1021/jm401707t BindingDB Entry DOI: 10.7270/Q2T15562
					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	6.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain cortex membranes after 120 mins by scintillation counting analysis				J Med Chem 57: 2884-94 (2014) Article DOI: 10.1021/jm401707t BindingDB Entry DOI: 10.7270/Q2T15562
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50009305 (CHEMBL3233532) Show SMILES OCC[C@H]1CN(CC2CCCCC2)CCN1Cc1ccc2ccccc2c1 |r| Show InChI InChI=1S/C24H34N2O/c27-15-12-24-19-25(17-20-6-2-1-3-7-20)13-14-26(24)18-21-10-11-22-8-4-5-9-23(22)16-21/h4-5,8-11,16,20,24,27H,1-3,6-7,12-15,17-19H2/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in human RPMI8226 cell membranes after 120 mins by scintillation counting analysis				J Med Chem 57: 2884-94 (2014) Article DOI: 10.1021/jm401707t BindingDB Entry DOI: 10.7270/Q2T15562
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50009304 (CHEMBL3233531) Show SMILES OCC[C@@H]1CN(CC2CCCCC2)CCN1Cc1cccc2ccccc12 |r| Show InChI InChI=1S/C24H34N2O/c27-16-13-23-19-25(17-20-7-2-1-3-8-20)14-15-26(23)18-22-11-6-10-21-9-4-5-12-24(21)22/h4-6,9-12,20,23,27H,1-3,7-8,13-19H2/t23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in human RPMI8226 cell membranes after 120 mins by scintillation counting analysis				J Med Chem 57: 2884-94 (2014) Article DOI: 10.1021/jm401707t BindingDB Entry DOI: 10.7270/Q2T15562
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50445476 (CHEMBL3104857) Show SMILES OCC[C@@H]1CN(CC2CCCCC2)CCN1Cc1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C26H36N2O/c29-18-15-26-21-27(19-22-7-3-1-4-8-22)16-17-28(26)20-23-11-13-25(14-12-23)24-9-5-2-6-10-24/h2,5-6,9-14,22,26,29H,1,3-4,7-8,15-21H2/t26-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain cortex membranes after 120 mins by scintillation counting analysis				J Med Chem 57: 2884-94 (2014) Article DOI: 10.1021/jm401707t BindingDB Entry DOI: 10.7270/Q2T15562
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50009301 (CHEMBL3233528) Show SMILES OCC[C@H]1CN(CC2CCCCC2)CCN1Cc1ccccc1 |r| Show InChI InChI=1S/C20H32N2O/c23-14-11-20-17-21(15-18-7-3-1-4-8-18)12-13-22(20)16-19-9-5-2-6-10-19/h2,5-6,9-10,18,20,23H,1,3-4,7-8,11-17H2/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase 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
University of M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in human RPMI8226 cell membranes after 120 mins by scintillation counting analysis				J Med Chem 57: 2884-94 (2014) Article DOI: 10.1021/jm401707t BindingDB Entry DOI: 10.7270/Q2T15562
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50009302 (CHEMBL3233529) Show SMILES OCC[C@@H]1CN(CC2CCCCC2)CCN1Cc1ccccc1 |r| Show InChI InChI=1S/C20H32N2O/c23-14-11-20-17-21(15-18-7-3-1-4-8-18)12-13-22(20)16-19-9-5-2-6-10-19/h2,5-6,9-10,18,20,23H,1,3-4,7-8,11-17H2/t20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in human RPMI8226 cell membranes after 120 mins by scintillation counting analysis				J Med Chem 57: 2884-94 (2014) Article DOI: 10.1021/jm401707t BindingDB Entry DOI: 10.7270/Q2T15562
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50009306 (CHEMBL3233533) Show SMILES COc1ccc2cc(CN3CCN(CC4CCCCC4)C[C@@H]3CCO)ccc2c1 |r| Show InChI InChI=1S/C25H36N2O2/c1-29-25-10-9-22-15-21(7-8-23(22)16-25)18-27-13-12-26(19-24(27)11-14-28)17-20-5-3-2-4-6-20/h7-10,15-16,20,24,28H,2-6,11-14,17-19H2,1H3/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia 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
University of M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in human RPMI8226 cell membranes after 120 mins by scintillation counting analysis				J Med Chem 57: 2884-94 (2014) Article DOI: 10.1021/jm401707t BindingDB Entry DOI: 10.7270/Q2T15562
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50445476 (CHEMBL3104857) Show SMILES OCC[C@@H]1CN(CC2CCCCC2)CCN1Cc1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C26H36N2O/c29-18-15-26-21-27(19-22-7-3-1-4-8-22)16-17-28(26)20-23-11-13-25(14-12-23)24-9-5-2-6-10-24/h2,5-6,9-14,22,26,29H,1,3-4,7-8,15-21H2/t26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia 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
University of M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in human RPMI8226 cell membranes after 120 mins by scintillation counting analysis				J Med Chem 57: 2884-94 (2014) Article DOI: 10.1021/jm401707t BindingDB Entry DOI: 10.7270/Q2T15562
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50009303 (CHEMBL3233530) Show SMILES OCC[C@H]1CN(CC2CCCCC2)CCN1Cc1cccc2ccccc12 |r| Show InChI InChI=1S/C24H34N2O/c27-16-13-23-19-25(17-20-7-2-1-3-8-20)14-15-26(23)18-22-11-6-10-21-9-4-5-12-24(21)22/h4-6,9-12,20,23,27H,1-3,7-8,13-19H2/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in human RPMI8226 cell membranes after 120 mins by scintillation counting analysis				J Med Chem 57: 2884-94 (2014) Article DOI: 10.1021/jm401707t BindingDB Entry DOI: 10.7270/Q2T15562
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50009299 (CHEMBL3233527) Show SMILES OCC[C@H]1CN(CCc2ccccc2)CCN1Cc1ccccc1 |r| Show InChI InChI=1S/C21H28N2O/c24-16-12-21-18-22(13-11-19-7-3-1-4-8-19)14-15-23(21)17-20-9-5-2-6-10-20/h1-10,21,24H,11-18H2/t21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain cortex membranes after 120 mins by scintillation counting analysis				J Med Chem 57: 2884-94 (2014) Article DOI: 10.1021/jm401707t BindingDB Entry DOI: 10.7270/Q2T15562
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50445477 (CHEMBL3104856) Show SMILES OCC[C@H]1CN(CC2CCCCC2)CCN1Cc1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C26H36N2O/c29-18-15-26-21-27(19-22-7-3-1-4-8-22)16-17-28(26)20-23-11-13-25(14-12-23)24-9-5-2-6-10-24/h2,5-6,9-14,22,26,29H,1,3-4,7-8,15-21H2/t26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in human RPMI8226 cell membranes after 120 mins by scintillation counting analysis				J Med Chem 57: 2884-94 (2014) Article DOI: 10.1021/jm401707t BindingDB Entry DOI: 10.7270/Q2T15562
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	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 antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in human RPMI8226 cell membranes after 120 mins by scintillation counting analysis				J Med Chem 57: 2884-94 (2014) Article DOI: 10.1021/jm401707t BindingDB Entry DOI: 10.7270/Q2T15562
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	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 antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in human RPMI8226 cell membranes after 120 mins by scintillation counting analysis				J Med Chem 57: 2884-94 (2014) Article DOI: 10.1021/jm401707t BindingDB Entry DOI: 10.7270/Q2T15562
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50009299 (CHEMBL3233527) Show SMILES OCC[C@H]1CN(CCc2ccccc2)CCN1Cc1ccccc1 |r| Show InChI InChI=1S/C21H28N2O/c24-16-12-21-18-22(13-11-19-7-3-1-4-8-19)14-15-23(21)17-20-9-5-2-6-10-20/h1-10,21,24H,11-18H2/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in human RPMI8226 cell membranes after 120 mins by scintillation counting analysis				J Med Chem 57: 2884-94 (2014) Article DOI: 10.1021/jm401707t BindingDB Entry DOI: 10.7270/Q2T15562
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50009306 (CHEMBL3233533) Show SMILES COc1ccc2cc(CN3CCN(CC4CCCCC4)C[C@@H]3CCO)ccc2c1 |r| Show InChI InChI=1S/C25H36N2O2/c1-29-25-10-9-22-15-21(7-8-23(22)16-25)18-27-13-12-26(19-24(27)11-14-28)17-20-5-3-2-4-6-20/h7-10,15-16,20,24,28H,2-6,11-14,17-19H2,1H3/t24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain cortex membranes after 120 mins by scintillation counting analysis				J Med Chem 57: 2884-94 (2014) Article DOI: 10.1021/jm401707t BindingDB Entry DOI: 10.7270/Q2T15562
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50009309 (CHEMBL3233526) Show SMILES CC(C)CCN1CCN(Cc2ccccc2)[C@@H](CCO)C1 |r| Show InChI InChI=1S/C18H30N2O/c1-16(2)8-10-19-11-12-20(18(15-19)9-13-21)14-17-6-4-3-5-7-17/h3-7,16,18,21H,8-15H2,1-2H3/t18-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain cortex membranes after 120 mins by scintillation counting analysis				J Med Chem 57: 2884-94 (2014) Article DOI: 10.1021/jm401707t BindingDB Entry DOI: 10.7270/Q2T15562
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50009307 (DITOLYLGUANIDINE | Di-o-tolylguanidine) Show SMILES Cc1ccccc1NC(=N)Nc1ccccc1C 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 MCE PC cid PC sid UniChem Similars	Article PubMed	71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain cortex membranes after 120 mins by scintillation counting analysis				J Med Chem 57: 2884-94 (2014) Article DOI: 10.1021/jm401707t BindingDB Entry DOI: 10.7270/Q2T15562
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50009309 (CHEMBL3233526) Show SMILES CC(C)CCN1CCN(Cc2ccccc2)[C@@H](CCO)C1 |r| Show InChI InChI=1S/C18H30N2O/c1-16(2)8-10-19-11-12-20(18(15-19)9-13-21)14-17-6-4-3-5-7-17/h3-7,16,18,21H,8-15H2,1-2H3/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	107	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in human RPMI8226 cell membranes after 120 mins by scintillation counting analysis				J Med Chem 57: 2884-94 (2014) Article DOI: 10.1021/jm401707t BindingDB Entry DOI: 10.7270/Q2T15562
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50009307 (DITOLYLGUANIDINE | Di-o-tolylguanidine) Show SMILES Cc1ccccc1NC(=N)Nc1ccccc1C 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 antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	208	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in human RPMI8226 cell membranes after 120 mins by scintillation counting analysis				J Med Chem 57: 2884-94 (2014) Article DOI: 10.1021/jm401707t BindingDB Entry DOI: 10.7270/Q2T15562
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50009308 (CHEMBL3233525) Show SMILES CCCCN1CCN(Cc2ccccc2)[C@@H](CCO)C1 |r| Show InChI InChI=1S/C17H28N2O/c1-2-3-10-18-11-12-19(17(15-18)9-13-20)14-16-7-5-4-6-8-16/h4-8,17,20H,2-3,9-15H2,1H3/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	279	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in human RPMI8226 cell membranes after 120 mins by scintillation counting analysis				J Med Chem 57: 2884-94 (2014) Article DOI: 10.1021/jm401707t BindingDB Entry DOI: 10.7270/Q2T15562
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50009308 (CHEMBL3233525) Show SMILES CCCCN1CCN(Cc2ccccc2)[C@@H](CCO)C1 |r| Show InChI InChI=1S/C17H28N2O/c1-2-3-10-18-11-12-19(17(15-18)9-13-20)14-16-7-5-4-6-8-16/h4-8,17,20H,2-3,9-15H2,1H3/t17-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	279	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain cortex membranes after 120 mins by scintillation counting analysis				J Med Chem 57: 2884-94 (2014) Article DOI: 10.1021/jm401707t BindingDB Entry DOI: 10.7270/Q2T15562
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50009311 (CHEMBL3233536) Show SMILES CCCCN1CCN(Cc2ccc(cc2)-c2ccccc2)[C@@H](CCO)C1 |r| Show InChI InChI=1S/C23H32N2O/c1-2-3-14-24-15-16-25(23(19-24)13-17-26)18-20-9-11-22(12-10-20)21-7-5-4-6-8-21/h4-12,23,26H,2-3,13-19H2,1H3/t23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	465	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain cortex membranes after 120 mins by scintillation counting analysis				J Med Chem 57: 2884-94 (2014) Article DOI: 10.1021/jm401707t BindingDB Entry DOI: 10.7270/Q2T15562
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50009311 (CHEMBL3233536) Show SMILES CCCCN1CCN(Cc2ccc(cc2)-c2ccccc2)[C@@H](CCO)C1 |r| Show InChI InChI=1S/C23H32N2O/c1-2-3-14-24-15-16-25(23(19-24)13-17-26)18-20-9-11-22(12-10-20)21-7-5-4-6-8-21/h4-12,23,26H,2-3,13-19H2,1H3/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	465	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in human RPMI8226 cell membranes after 120 mins by scintillation counting analysis				J Med Chem 57: 2884-94 (2014) Article DOI: 10.1021/jm401707t BindingDB Entry DOI: 10.7270/Q2T15562
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50009312 (CHEMBL3233537) Show SMILES CCCCN1CCN(Cc2ccc(OC)cc2)[C@@H](CCO)C1 |r| Show InChI InChI=1S/C18H30N2O2/c1-3-4-10-19-11-12-20(17(15-19)9-13-21)14-16-5-7-18(22-2)8-6-16/h5-8,17,21H,3-4,9-15H2,1-2H3/t17-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	491	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain cortex membranes after 120 mins by scintillation counting analysis				J Med Chem 57: 2884-94 (2014) Article DOI: 10.1021/jm401707t BindingDB Entry DOI: 10.7270/Q2T15562
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50009312 (CHEMBL3233537) Show SMILES CCCCN1CCN(Cc2ccc(OC)cc2)[C@@H](CCO)C1 |r| Show InChI InChI=1S/C18H30N2O2/c1-3-4-10-19-11-12-20(17(15-19)9-13-21)14-16-5-7-18(22-2)8-6-16/h5-8,17,21H,3-4,9-15H2,1-2H3/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	491	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in human RPMI8226 cell membranes after 120 mins by scintillation counting analysis				J Med Chem 57: 2884-94 (2014) Article DOI: 10.1021/jm401707t BindingDB Entry DOI: 10.7270/Q2T15562
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50009310 (CHEMBL3233535) Show SMILES CN1CCN(Cc2ccc(cc2)-c2ccccc2)[C@@H](CCO)C1 |r| Show InChI InChI=1S/C20H26N2O/c1-21-12-13-22(20(16-21)11-14-23)15-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h2-10,20,23H,11-16H2,1H3/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	711	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in human RPMI8226 cell membranes after 120 mins by scintillation counting analysis				J Med Chem 57: 2884-94 (2014) Article DOI: 10.1021/jm401707t BindingDB Entry DOI: 10.7270/Q2T15562
					More data for this Ligand-Target Pair