Compile Data Set for Download or QSAR

Found 21 hits Enz. Inhib. hit(s) with all data for assayid = 3 entry = 50010466   

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 intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50539143 (CHEMBL4634358) Show SMILES C(CNC1CCc2ccsc2CC1)Cc1ccccc1 Show InChI InChI=1S/C18H23NS/c1-2-5-15(6-3-1)7-4-13-19-17-9-8-16-12-14-20-18(16)11-10-17/h1-3,5-6,12,14,17,19H,4,7-11,13H2	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor in rat liver membranes incubated for 120 mins in the presence of sigma1 receptor ligand...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115245 BindingDB Entry DOI: 10.7270/Q2N01B2X
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50539144 (CHEMBL4646690) Show SMILES C(CCc1ccccc1)CNC1CCc2ccsc2CC1 Show InChI InChI=1S/C19H25NS/c1-2-6-16(7-3-1)8-4-5-14-20-18-10-9-17-13-15-21-19(17)12-11-18/h1-3,6-7,13,15,18,20H,4-5,8-12,14H2	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor in rat liver membranes incubated for 120 mins in the presence of sigma1 receptor ligand...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115245 BindingDB Entry DOI: 10.7270/Q2N01B2X
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50539148 (CHEMBL4648500) Show SMILES CN(CCCCc1ccccc1)C1CCc2ccsc2CC1 Show InChI InChI=1S/C20H27NS/c1-21(15-6-5-9-17-7-3-2-4-8-17)19-11-10-18-14-16-22-20(18)13-12-19/h2-4,7-8,14,16,19H,5-6,9-13,15H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor in rat liver membranes incubated for 120 mins in the presence of sigma1 receptor ligand...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115245 BindingDB Entry DOI: 10.7270/Q2N01B2X
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50539158 (CHEMBL4645300) Show SMILES Brc1cc2CCC(CCc2s1)NCCCCc1ccccc1 Show InChI InChI=1S/C19H24BrNS/c20-19-14-16-9-10-17(11-12-18(16)22-19)21-13-5-4-8-15-6-2-1-3-7-15/h1-3,6-7,14,17,21H,4-5,8-13H2	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor in rat liver membranes incubated for 120 mins in the presence of sigma1 receptor ligand...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115245 BindingDB Entry DOI: 10.7270/Q2N01B2X
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50539147 (CHEMBL4645707) Show SMILES CN(CCCc1ccccc1)C1CCc2ccsc2CC1 Show InChI InChI=1S/C19H25NS/c1-20(14-5-8-16-6-3-2-4-7-16)18-10-9-17-13-15-21-19(17)12-11-18/h2-4,6-7,13,15,18H,5,8-12,14H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor in rat liver membranes incubated for 120 mins in the presence of sigma1 receptor ligand...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115245 BindingDB Entry DOI: 10.7270/Q2N01B2X
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50539156 (CHEMBL4637655) Show SMILES CN(CCCc1ccccc1)C1CCc2cc(CO)sc2CC1 Show InChI InChI=1S/C20H27NOS/c1-21(13-5-8-16-6-3-2-4-7-16)18-10-9-17-14-19(15-22)23-20(17)12-11-18/h2-4,6-7,14,18,22H,5,8-13,15H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor in rat liver membranes incubated for 120 mins in the presence of sigma1 receptor ligand...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115245 BindingDB Entry DOI: 10.7270/Q2N01B2X
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50539153 (CHEMBL4637229) Show SMILES OCc1cc2CCC(CCc2s1)NCCCc1ccccc1 Show InChI InChI=1S/C19H25NOS/c21-14-18-13-16-8-9-17(10-11-19(16)22-18)20-12-4-7-15-5-2-1-3-6-15/h1-3,5-6,13,17,20-21H,4,7-12,14H2	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor in rat liver membranes incubated for 120 mins in the presence of sigma1 receptor ligand...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115245 BindingDB Entry DOI: 10.7270/Q2N01B2X
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50539151 (CHEMBL4648377) Show SMILES CCN(CCCc1ccccc1)C1CCc2ccsc2CC1 Show InChI InChI=1S/C20H27NS/c1-2-21(15-6-9-17-7-4-3-5-8-17)19-11-10-18-14-16-22-20(18)13-12-19/h3-5,7-8,14,16,19H,2,6,9-13,15H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor in rat liver membranes incubated for 120 mins in the presence of sigma1 receptor ligand...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115245 BindingDB Entry DOI: 10.7270/Q2N01B2X
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50539157 (CHEMBL4632765) Show SMILES Brc1cc2CCC(CCc2s1)NCCCc1ccccc1 Show InChI InChI=1S/C18H22BrNS/c19-18-13-15-8-9-16(10-11-17(15)21-18)20-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,13,16,20H,4,7-12H2	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor in rat liver membranes incubated for 120 mins in the presence of sigma1 receptor ligand...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115245 BindingDB Entry DOI: 10.7270/Q2N01B2X
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50539152 (CHEMBL4641623) Show SMILES CCN(CCCCc1ccccc1)C1CCc2ccsc2CC1 Show InChI InChI=1S/C21H29NS/c1-2-22(16-7-6-10-18-8-4-3-5-9-18)20-12-11-19-15-17-23-21(19)14-13-20/h3-5,8-9,15,17,20H,2,6-7,10-14,16H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor in rat liver membranes incubated for 120 mins in the presence of sigma1 receptor ligand...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115245 BindingDB Entry DOI: 10.7270/Q2N01B2X
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50539155 (CHEMBL4642875) Show SMILES CN(CCc1ccccc1)C1CCc2cc(CO)sc2CC1 Show InChI InChI=1S/C19H25NOS/c1-20(12-11-15-5-3-2-4-6-15)17-8-7-16-13-18(14-21)22-19(16)10-9-17/h2-6,13,17,21H,7-12,14H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor in rat liver membranes incubated for 120 mins in the presence of sigma1 receptor ligand...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115245 BindingDB Entry DOI: 10.7270/Q2N01B2X
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50539142 (CHEMBL4646841) Show SMILES C(Cc1ccccc1)NC1CCc2ccsc2CC1 Show InChI InChI=1S/C17H21NS/c1-2-4-14(5-3-1)10-12-18-16-7-6-15-11-13-19-17(15)9-8-16/h1-5,11,13,16,18H,6-10,12H2	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor in rat liver membranes incubated for 120 mins in the presence of sigma1 receptor ligand...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115245 BindingDB Entry DOI: 10.7270/Q2N01B2X
					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	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor in rat liver membranes incubated for 120 mins in the presence of sigma1 receptor ligand...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115245 BindingDB Entry DOI: 10.7270/Q2N01B2X
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50539146 (CHEMBL4632628) Show SMILES CN(CCc1ccccc1)C1CCc2ccsc2CC1 Show InChI InChI=1S/C18H23NS/c1-19(13-11-15-5-3-2-4-6-15)17-8-7-16-12-14-20-18(16)10-9-17/h2-6,12,14,17H,7-11,13H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor in rat liver membranes incubated for 120 mins in the presence of sigma1 receptor ligand...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115245 BindingDB Entry DOI: 10.7270/Q2N01B2X
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50539159 (CHEMBL4649725) Show SMILES Oc1ccc(cc1)-c1cc2CCC(CCc2s1)NCCCc1ccccc1 Show InChI InChI=1S/C24H27NOS/c26-22-13-9-19(10-14-22)24-17-20-8-11-21(12-15-23(20)27-24)25-16-4-7-18-5-2-1-3-6-18/h1-3,5-6,9-10,13-14,17,21,25-26H,4,7-8,11-12,15-16H2	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor in rat liver membranes incubated for 120 mins in the presence of sigma1 receptor ligand...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115245 BindingDB Entry DOI: 10.7270/Q2N01B2X
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50539154 (CHEMBL4644834) Show SMILES OCc1cc2CCC(CCc2s1)NCCCCc1ccccc1 Show InChI InChI=1S/C20H27NOS/c22-15-19-14-17-9-10-18(11-12-20(17)23-19)21-13-5-4-8-16-6-2-1-3-7-16/h1-3,6-7,14,18,21-22H,4-5,8-13,15H2	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	73	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor in rat liver membranes incubated for 120 mins in the presence of sigma1 receptor ligand...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115245 BindingDB Entry DOI: 10.7270/Q2N01B2X
					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
Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor in rat liver membranes incubated for 120 mins in the presence of sigma1 receptor ligand...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115245 BindingDB Entry DOI: 10.7270/Q2N01B2X
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50539145 (CHEMBL4647243) Show SMILES CN(Cc1ccccc1)C1CCc2ccsc2CC1 Show InChI InChI=1S/C17H21NS/c1-18(13-14-5-3-2-4-6-14)16-8-7-15-11-12-19-17(15)10-9-16/h2-6,11-12,16H,7-10,13H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	91	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor in rat liver membranes incubated for 120 mins in the presence of sigma1 receptor ligand...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115245 BindingDB Entry DOI: 10.7270/Q2N01B2X
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50083351 ((+/-)-[2-(4-benzylpiperidino)-1-(4-hydroxyphenyl)-...) Show SMILES CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor in rat liver membranes incubated for 120 mins in the presence of sigma1 receptor ligand...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115245 BindingDB Entry DOI: 10.7270/Q2N01B2X
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50539150 (CHEMBL4644644) Show SMILES CCN(CCc1ccccc1)C1CCc2ccsc2CC1 Show InChI InChI=1S/C19H25NS/c1-2-20(14-12-16-6-4-3-5-7-16)18-9-8-17-13-15-21-19(17)11-10-18/h3-7,13,15,18H,2,8-12,14H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	141	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor in rat liver membranes incubated for 120 mins in the presence of sigma1 receptor ligand...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115245 BindingDB Entry DOI: 10.7270/Q2N01B2X
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50539149 (CHEMBL4647186) Show SMILES CCN(Cc1ccccc1)C1CCc2ccsc2CC1 Show InChI InChI=1S/C18H23NS/c1-2-19(14-15-6-4-3-5-7-15)17-9-8-16-12-13-20-18(16)11-10-17/h3-7,12-13,17H,2,8-11,14H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	149	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor in rat liver membranes incubated for 120 mins in the presence of sigma1 receptor ligand...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115245 BindingDB Entry DOI: 10.7270/Q2N01B2X
					More data for this Ligand-Target Pair