Compile Data Set for Download or QSAR

Found 27 hits Enz. Inhib. hit(s) with all data for entry = 50000531   

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))	BDBM50252686 (CHEMBL4077148) Show SMILES FCC[C@H]1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12 |r| 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/t20-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.570	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, Corrensstra?e 48, D-48149 Münster, Germany. Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 120 mins by microbeta scintillation counting method				Bioorg Med Chem 25: 3384-3395 (2017) Article DOI: 10.1016/j.bmc.2017.04.042 BindingDB Entry DOI: 10.7270/Q25Q4ZJP
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50252685 (CHEMBL4064375) Show SMILES FCC[C@@H]1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12 |r| 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/t20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Pharmazeutische und Medizinische Chemie der Universität Münster, Corrensstra?e 48, D-48149 Münster, Germany. Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 120 mins by microbeta scintillation counting method				Bioorg Med Chem 25: 3384-3395 (2017) Article DOI: 10.1016/j.bmc.2017.04.042 BindingDB Entry DOI: 10.7270/Q25Q4ZJP
					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, Corrensstra?e 48, D-48149 Münster, Germany. Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 120 mins by microbeta scintillation counting method				Bioorg Med Chem 25: 3384-3395 (2017) Article DOI: 10.1016/j.bmc.2017.04.042 BindingDB Entry DOI: 10.7270/Q25Q4ZJP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50035131 ((+)-(6R,11S)-6,11-dimethyl-3-(3-methyl-but-2-enyl)...) Show SMILES [#6]-[#6@@H]1-[#6@@H]-2-[#6]-c3ccc(-[#8])cc3[C@@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](/[#6])-[#6] |r,TLB:16:15:10.4.3:1| Show InChI InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Pharmazeutische und Medizinische Chemie der Universität Münster, Corrensstra?e 48, D-48149 Münster, Germany. Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 120 mins by microbeta scintillation counting method				Bioorg Med Chem 25: 3384-3395 (2017) Article DOI: 10.1016/j.bmc.2017.04.042 BindingDB Entry DOI: 10.7270/Q25Q4ZJP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50321768 ((S)-2-(1'-(cyclohexylmethyl)spiro[isochroman-1,4'-...) Show SMILES OCC[C@@H]1Cc2ccccc2C2(CCN(CC3CCCCC3)CC2)O1 |r| Show InChI InChI=1S/C22H33NO2/c24-15-10-20-16-19-8-4-5-9-21(19)22(25-20)11-13-23(14-12-22)17-18-6-2-1-3-7-18/h4-5,8-9,18,20,24H,1-3,6-7,10-17H2/t20-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	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, Corrensstra?e 48, D-48149 Münster, Germany. Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 120 mins by microbeta scintillation counting method				Bioorg Med Chem 25: 3384-3395 (2017) Article DOI: 10.1016/j.bmc.2017.04.042 BindingDB Entry DOI: 10.7270/Q25Q4ZJP
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50321765 ((R)-2-(1'-benzylspiro[isochroman-1,4'-piperidine]-...) Show SMILES OCC[C@H]1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1 |r| Show InChI InChI=1S/C22H27NO2/c24-15-10-20-16-19-8-4-5-9-21(19)22(25-20)11-13-23(14-12-22)17-18-6-2-1-3-7-18/h1-9,20,24H,10-17H2/t20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	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, Corrensstra?e 48, D-48149 Münster, Germany. Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 120 mins by microbeta scintillation counting method				Bioorg Med Chem 25: 3384-3395 (2017) Article DOI: 10.1016/j.bmc.2017.04.042 BindingDB Entry DOI: 10.7270/Q25Q4ZJP
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50321767 ((R)-2-(1'-(cyclohexylmethyl)spiro[isochroman-1,4'-...) Show SMILES OCC[C@H]1Cc2ccccc2C2(CCN(CC3CCCCC3)CC2)O1 |r| Show InChI InChI=1S/C22H33NO2/c24-15-10-20-16-19-8-4-5-9-21(19)22(25-20)11-13-23(14-12-22)17-18-6-2-1-3-7-18/h4-5,8-9,18,20,24H,1-3,6-7,10-17H2/t20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	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, Corrensstra?e 48, D-48149 Münster, Germany. Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 120 mins by microbeta scintillation counting method				Bioorg Med Chem 25: 3384-3395 (2017) Article DOI: 10.1016/j.bmc.2017.04.042 BindingDB Entry DOI: 10.7270/Q25Q4ZJP
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50321796 ((R)-2-(1'-(3-phenylpropyl)spiro[isochroman-1,4'-pi...) Show SMILES OCC[C@H]1Cc2ccccc2C2(CCN(CCCc3ccccc3)CC2)O1 |r| Show InChI InChI=1S/C24H31NO2/c26-18-12-22-19-21-10-4-5-11-23(21)24(27-22)13-16-25(17-14-24)15-6-9-20-7-2-1-3-8-20/h1-5,7-8,10-11,22,26H,6,9,12-19H2/t22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	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, Corrensstra?e 48, D-48149 Münster, Germany. Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 120 mins by microbeta scintillation counting method				Bioorg Med Chem 25: 3384-3395 (2017) Article DOI: 10.1016/j.bmc.2017.04.042 BindingDB Entry DOI: 10.7270/Q25Q4ZJP
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50252684 (CHEMBL4092162) Show SMILES CCCCCCCCN1CCC2(CC1)O[C@@H](CCO)Cc1ccccc21 |r| Show InChI InChI=1S/C23H37NO2/c1-2-3-4-5-6-9-15-24-16-13-23(14-17-24)22-11-8-7-10-20(22)19-21(26-23)12-18-25/h7-8,10-11,21,25H,2-6,9,12-19H2,1H3/t21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	24	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, Corrensstra?e 48, D-48149 Münster, Germany. Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 120 mins by microbeta scintillation counting method				Bioorg Med Chem 25: 3384-3395 (2017) Article DOI: 10.1016/j.bmc.2017.04.042 BindingDB Entry DOI: 10.7270/Q25Q4ZJP
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50190120 (CHEMBL3828752) Show SMILES COC(=O)C[C@@H]1Cc2ccccc2[C@H](CCN2CCC(CC2)c2ccccc2)O1 |r| Show InChI InChI=1S/C25H31NO3/c1-28-25(27)18-22-17-21-9-5-6-10-23(21)24(29-22)13-16-26-14-11-20(12-15-26)19-7-3-2-4-8-19/h2-10,20,22,24H,11-18H2,1H3/t22-,24-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32	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, Corrensstra?e 48, D-48149 Münster, Germany. Curated by ChEMBL					Assay Description Displacement of [3H]DTG from sigma-2 receptor in rat liver membranes after 120 mins by microbeta scintillation counting method				Bioorg Med Chem 25: 3384-3395 (2017) Article DOI: 10.1016/j.bmc.2017.04.042 BindingDB Entry DOI: 10.7270/Q25Q4ZJP
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50252682 (CHEMBL4077547) Show SMILES COC(=O)C[C@H]1Cc2ccccc2[C@@H](CCN2CCC(CC2)c2ccccc2)O1 |r| Show InChI InChI=1S/C25H31NO3/c1-28-25(27)18-22-17-21-9-5-6-10-23(21)24(29-22)13-16-26-14-11-20(12-15-26)19-7-3-2-4-8-19/h2-10,20,22,24H,11-18H2,1H3/t22-,24-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	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 für Pharmazeutische und Medizinische Chemie der Universität Münster, Corrensstra?e 48, D-48149 Münster, Germany. Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 120 mins by microbeta scintillation counting method				Bioorg Med Chem 25: 3384-3395 (2017) Article DOI: 10.1016/j.bmc.2017.04.042 BindingDB Entry DOI: 10.7270/Q25Q4ZJP
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	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)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	42	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, Corrensstra?e 48, D-48149 Münster, Germany. Curated by ChEMBL					Assay Description Displacement of [3H]DTG from sigma-2 receptor in rat liver membranes after 120 mins by microbeta scintillation counting method				Bioorg Med Chem 25: 3384-3395 (2017) Article DOI: 10.1016/j.bmc.2017.04.042 BindingDB Entry DOI: 10.7270/Q25Q4ZJP
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50190120 (CHEMBL3828752) Show SMILES COC(=O)C[C@@H]1Cc2ccccc2[C@H](CCN2CCC(CC2)c2ccccc2)O1 |r| Show InChI InChI=1S/C25H31NO3/c1-28-25(27)18-22-17-21-9-5-6-10-23(21)24(29-22)13-16-26-14-11-20(12-15-26)19-7-3-2-4-8-19/h2-10,20,22,24H,11-18H2,1H3/t22-,24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	43	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, Corrensstra?e 48, D-48149 Münster, Germany. Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 120 mins by microbeta scintillation counting method				Bioorg Med Chem 25: 3384-3395 (2017) Article DOI: 10.1016/j.bmc.2017.04.042 BindingDB Entry DOI: 10.7270/Q25Q4ZJP
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50321766 ((S)-2-(1'-benzylspiro[isochroman-1,4'-piperidine]-...) Show SMILES OCC[C@@H]1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1 |r| Show InChI InChI=1S/C22H27NO2/c24-15-10-20-16-19-8-4-5-9-21(19)22(25-20)11-13-23(14-12-22)17-18-6-2-1-3-7-18/h1-9,20,24H,10-17H2/t20-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	48	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, Corrensstra?e 48, D-48149 Münster, Germany. Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 120 mins by microbeta scintillation counting method				Bioorg Med Chem 25: 3384-3395 (2017) Article DOI: 10.1016/j.bmc.2017.04.042 BindingDB Entry DOI: 10.7270/Q25Q4ZJP
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50252683 (CHEMBL4102372) Show SMILES CCCCCCCCN1CCC2(CC1)O[C@H](CCO)Cc1ccccc21 |r| Show InChI InChI=1S/C23H37NO2/c1-2-3-4-5-6-9-15-24-16-13-23(14-17-24)22-11-8-7-10-20(22)19-21(26-23)12-18-25/h7-8,10-11,21,25H,2-6,9,12-19H2,1H3/t21-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	56	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, Corrensstra?e 48, D-48149 Münster, Germany. Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 120 mins by microbeta scintillation counting method				Bioorg Med Chem 25: 3384-3395 (2017) Article DOI: 10.1016/j.bmc.2017.04.042 BindingDB Entry DOI: 10.7270/Q25Q4ZJP
					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	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, Corrensstra?e 48, D-48149 Münster, Germany. Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 120 mins by microbeta scintillation counting method				Bioorg Med Chem 25: 3384-3395 (2017) Article DOI: 10.1016/j.bmc.2017.04.042 BindingDB Entry DOI: 10.7270/Q25Q4ZJP
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50252684 (CHEMBL4092162) Show SMILES CCCCCCCCN1CCC2(CC1)O[C@@H](CCO)Cc1ccccc21 |r| Show InChI InChI=1S/C23H37NO2/c1-2-3-4-5-6-9-15-24-16-13-23(14-17-24)22-11-8-7-10-20(22)19-21(26-23)12-18-25/h7-8,10-11,21,25H,2-6,9,12-19H2,1H3/t21-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	68	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, Corrensstra?e 48, D-48149 Münster, Germany. Curated by ChEMBL					Assay Description Displacement of [3H]DTG from sigma-2 receptor in rat liver membranes after 120 mins by microbeta scintillation counting method				Bioorg Med Chem 25: 3384-3395 (2017) Article DOI: 10.1016/j.bmc.2017.04.042 BindingDB Entry DOI: 10.7270/Q25Q4ZJP
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50321797 ((S)-2-(1'-(3-phenylpropyl)spiro[isochroman-1,4'-pi...) Show SMILES OCC[C@@H]1Cc2ccccc2C2(CCN(CCCc3ccccc3)CC2)O1 |r| Show InChI InChI=1S/C24H31NO2/c26-18-12-22-19-21-10-4-5-11-23(21)24(27-22)13-16-25(17-14-24)15-6-9-20-7-2-1-3-8-20/h1-5,7-8,10-11,22,26H,6,9,12-19H2/t22-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	68	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, Corrensstra?e 48, D-48149 Münster, Germany. Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 120 mins by microbeta scintillation counting method				Bioorg Med Chem 25: 3384-3395 (2017) Article DOI: 10.1016/j.bmc.2017.04.042 BindingDB Entry DOI: 10.7270/Q25Q4ZJP
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	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	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	78	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, Corrensstra?e 48, D-48149 Münster, Germany. Curated by ChEMBL					Assay Description Displacement of [3H]DTG from sigma-2 receptor in rat liver membranes after 120 mins by microbeta scintillation counting method				Bioorg Med Chem 25: 3384-3395 (2017) Article DOI: 10.1016/j.bmc.2017.04.042 BindingDB Entry DOI: 10.7270/Q25Q4ZJP
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50252683 (CHEMBL4102372) Show SMILES CCCCCCCCN1CCC2(CC1)O[C@H](CCO)Cc1ccccc21 |r| Show InChI InChI=1S/C23H37NO2/c1-2-3-4-5-6-9-15-24-16-13-23(14-17-24)22-11-8-7-10-20(22)19-21(26-23)12-18-25/h7-8,10-11,21,25H,2-6,9,12-19H2,1H3/t21-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	260	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, Corrensstra?e 48, D-48149 Münster, Germany. Curated by ChEMBL					Assay Description Displacement of [3H]DTG from sigma-2 receptor in rat liver membranes after 120 mins by microbeta scintillation counting method				Bioorg Med Chem 25: 3384-3395 (2017) Article DOI: 10.1016/j.bmc.2017.04.042 BindingDB Entry DOI: 10.7270/Q25Q4ZJP
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50321767 ((R)-2-(1'-(cyclohexylmethyl)spiro[isochroman-1,4'-...) Show SMILES OCC[C@H]1Cc2ccccc2C2(CCN(CC3CCCCC3)CC2)O1 |r| Show InChI InChI=1S/C22H33NO2/c24-15-10-20-16-19-8-4-5-9-21(19)22(25-20)11-13-23(14-12-22)17-18-6-2-1-3-7-18/h4-5,8-9,18,20,24H,1-3,6-7,10-17H2/t20-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	510	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, Corrensstra?e 48, D-48149 Münster, Germany. Curated by ChEMBL					Assay Description Displacement of [3H]DTG from sigma-2 receptor in rat liver membranes after 120 mins by microbeta scintillation counting method				Bioorg Med Chem 25: 3384-3395 (2017) Article DOI: 10.1016/j.bmc.2017.04.042 BindingDB Entry DOI: 10.7270/Q25Q4ZJP
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50321797 ((S)-2-(1'-(3-phenylpropyl)spiro[isochroman-1,4'-pi...) Show SMILES OCC[C@@H]1Cc2ccccc2C2(CCN(CCCc3ccccc3)CC2)O1 |r| Show InChI InChI=1S/C24H31NO2/c26-18-12-22-19-21-10-4-5-11-23(21)24(27-22)13-16-25(17-14-24)15-6-9-20-7-2-1-3-8-20/h1-5,7-8,10-11,22,26H,6,9,12-19H2/t22-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	519	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, Corrensstra?e 48, D-48149 Münster, Germany. Curated by ChEMBL					Assay Description Displacement of [3H]DTG from sigma-2 receptor in rat liver membranes after 120 mins by microbeta scintillation counting method				Bioorg Med Chem 25: 3384-3395 (2017) Article DOI: 10.1016/j.bmc.2017.04.042 BindingDB Entry DOI: 10.7270/Q25Q4ZJP
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50252682 (CHEMBL4077547) Show SMILES COC(=O)C[C@H]1Cc2ccccc2[C@@H](CCN2CCC(CC2)c2ccccc2)O1 |r| Show InChI InChI=1S/C25H31NO3/c1-28-25(27)18-22-17-21-9-5-6-10-23(21)24(29-22)13-16-26-14-11-20(12-15-26)19-7-3-2-4-8-19/h2-10,20,22,24H,11-18H2,1H3/t22-,24-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	525	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, Corrensstra?e 48, D-48149 Münster, Germany. Curated by ChEMBL					Assay Description Displacement of [3H]DTG from sigma-2 receptor in rat liver membranes after 120 mins by microbeta scintillation counting method				Bioorg Med Chem 25: 3384-3395 (2017) Article DOI: 10.1016/j.bmc.2017.04.042 BindingDB Entry DOI: 10.7270/Q25Q4ZJP
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50252681 (CHEMBL4060625) Show SMILES COC(=O)C[C@H]1Cc2ccccc2[C@@H](CCN2CCCCC2)O1 |r| Show InChI InChI=1S/C19H27NO3/c1-22-19(21)14-16-13-15-7-3-4-8-17(15)18(23-16)9-12-20-10-5-2-6-11-20/h3-4,7-8,16,18H,2,5-6,9-14H2,1H3/t16-,18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	556	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, Corrensstra?e 48, D-48149 Münster, Germany. Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 120 mins by microbeta scintillation counting method				Bioorg Med Chem 25: 3384-3395 (2017) Article DOI: 10.1016/j.bmc.2017.04.042 BindingDB Entry DOI: 10.7270/Q25Q4ZJP
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50321768 ((S)-2-(1'-(cyclohexylmethyl)spiro[isochroman-1,4'-...) Show SMILES OCC[C@@H]1Cc2ccccc2C2(CCN(CC3CCCCC3)CC2)O1 |r| Show InChI InChI=1S/C22H33NO2/c24-15-10-20-16-19-8-4-5-9-21(19)22(25-20)11-13-23(14-12-22)17-18-6-2-1-3-7-18/h4-5,8-9,18,20,24H,1-3,6-7,10-17H2/t20-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	614	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, Corrensstra?e 48, D-48149 Münster, Germany. Curated by ChEMBL					Assay Description Displacement of [3H]DTG from sigma-2 receptor in rat liver membranes after 120 mins by microbeta scintillation counting method				Bioorg Med Chem 25: 3384-3395 (2017) Article DOI: 10.1016/j.bmc.2017.04.042 BindingDB Entry DOI: 10.7270/Q25Q4ZJP
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50190119 (CHEMBL3827235) Show SMILES COC(=O)C[C@@H]1Cc2ccccc2[C@H](CCN2CCCCC2)O1 |r| Show InChI InChI=1S/C19H27NO3/c1-22-19(21)14-16-13-15-7-3-4-8-17(15)18(23-16)9-12-20-10-5-2-6-11-20/h3-4,7-8,16,18H,2,5-6,9-14H2,1H3/t16-,18-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	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, Corrensstra?e 48, D-48149 Münster, Germany. Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 120 mins by microbeta scintillation counting method				Bioorg Med Chem 25: 3384-3395 (2017) Article DOI: 10.1016/j.bmc.2017.04.042 BindingDB Entry DOI: 10.7270/Q25Q4ZJP
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50321796 ((R)-2-(1'-(3-phenylpropyl)spiro[isochroman-1,4'-pi...) Show SMILES OCC[C@H]1Cc2ccccc2C2(CCN(CCCc3ccccc3)CC2)O1 |r| Show InChI InChI=1S/C24H31NO2/c26-18-12-22-19-21-10-4-5-11-23(21)24(27-22)13-16-25(17-14-24)15-6-9-20-7-2-1-3-8-20/h1-5,7-8,10-11,22,26H,6,9,12-19H2/t22-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.22E+3	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, Corrensstra?e 48, D-48149 Münster, Germany. Curated by ChEMBL					Assay Description Displacement of [3H]DTG from sigma-2 receptor in rat liver membranes after 120 mins by microbeta scintillation counting method				Bioorg Med Chem 25: 3384-3395 (2017) Article DOI: 10.1016/j.bmc.2017.04.042 BindingDB Entry DOI: 10.7270/Q25Q4ZJP
					More data for this Ligand-Target Pair