Compile Data Set for Download or QSAR

Found 561 hits with Last Name = 'torrens' and Initial = 'a'   

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
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50163035 (5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonic aci...) Show SMILES CN(C)CCc1c[nH]c2ccc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)cc12 Show InChI InChI=1S/C21H22ClN3O2S2/c1-13-17-10-15(22)4-7-20(17)28-21(13)29(26,27)24-16-5-6-19-18(11-16)14(12-23-19)8-9-25(2)3/h4-7,10-12,23-24H,8-9H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorios Dr. Esteve S.A. Curated by ChEMBL					Assay Description Inhibition of [3H]-LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HEK293 cells				J Med Chem 48: 1781-95 (2005) Article DOI: 10.1021/jm049615n BindingDB Entry DOI: 10.7270/Q2ZP45N9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM34143 (CHEMBL175835 | E-6837) Show SMILES CN(C)CCc1c[nH]c2ccc(NS(=O)(=O)c3ccc4c(Cl)cccc4c3)cc12 Show InChI InChI=1S/C22H22ClN3O2S/c1-26(2)11-10-16-14-24-22-9-6-17(13-20(16)22)25-29(27,28)18-7-8-19-15(12-18)4-3-5-21(19)23/h3-9,12-14,24-25H,10-11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorios Dr. Esteve S.A. Curated by ChEMBL					Assay Description Inhibition of [3H]-LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HEK293 cells				J Med Chem 48: 1781-95 (2005) Article DOI: 10.1021/jm049615n BindingDB Entry DOI: 10.7270/Q2ZP45N9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50163094 (5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonic aci...) Show SMILES CCN(CC)CCc1c[nH]c2ccc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)cc12 Show InChI InChI=1S/C23H26ClN3O2S2/c1-4-27(5-2)11-10-16-14-25-21-8-7-18(13-20(16)21)26-31(28,29)23-15(3)19-12-17(24)6-9-22(19)30-23/h6-9,12-14,25-26H,4-5,10-11H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorios Dr. Esteve S.A. Curated by ChEMBL					Assay Description Inhibition of [3H]-LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HEK293 cells				J Med Chem 48: 1781-95 (2005) Article DOI: 10.1021/jm049615n BindingDB Entry DOI: 10.7270/Q2ZP45N9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50163067 (Biphenyl-4-sulfonic acid [3-(2-dimethylamino-ethyl...) Show SMILES CN(C)CCc1c[nH]c2ccc(NS(=O)(=O)c3ccc(cc3)-c3ccccc3)cc12 Show InChI InChI=1S/C24H25N3O2S/c1-27(2)15-14-20-17-25-24-13-10-21(16-23(20)24)26-30(28,29)22-11-8-19(9-12-22)18-6-4-3-5-7-18/h3-13,16-17,25-26H,14-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorios Dr. Esteve S.A. Curated by ChEMBL					Assay Description Inhibition of [3H]-LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HEK293 cells				J Med Chem 48: 1781-95 (2005) Article DOI: 10.1021/jm049615n BindingDB Entry DOI: 10.7270/Q2ZP45N9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50163061 (5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonic aci...) Show SMILES CCCN(CCC)CCc1c[nH]c2ccc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)cc12 Show InChI InChI=1S/C25H30ClN3O2S2/c1-4-11-29(12-5-2)13-10-18-16-27-23-8-7-20(15-22(18)23)28-33(30,31)25-17(3)21-14-19(26)6-9-24(21)32-25/h6-9,14-16,27-28H,4-5,10-13H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorios Dr. Esteve S.A. Curated by ChEMBL					Assay Description Inhibition of [3H]-LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HEK293 cells				J Med Chem 48: 1781-95 (2005) Article DOI: 10.1021/jm049615n BindingDB Entry DOI: 10.7270/Q2ZP45N9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50163053 (CHEMBL368390 | Naphthalene-1-sulfonic acid [3-(2-d...) Show SMILES CN(C)CCc1c[nH]c2ccc(NS(=O)(=O)c3cccc4ccccc34)cc12 Show InChI InChI=1S/C22H23N3O2S/c1-25(2)13-12-17-15-23-21-11-10-18(14-20(17)21)24-28(26,27)22-9-5-7-16-6-3-4-8-19(16)22/h3-11,14-15,23-24H,12-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorios Dr. Esteve S.A. Curated by ChEMBL					Assay Description Inhibition of [3H]-LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HEK293 cells				J Med Chem 48: 1781-95 (2005) Article DOI: 10.1021/jm049615n BindingDB Entry DOI: 10.7270/Q2ZP45N9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM28583 (5-chloro-N-[4-methoxy-3-(piperazin-1-yl)phenyl]-3-...) Show SMILES COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCNCC1 Show InChI InChI=1S/C20H22ClN3O3S2/c1-13-16-11-14(21)3-6-19(16)28-20(13)29(25,26)23-15-4-5-18(27-2)17(12-15)24-9-7-22-8-10-24/h3-6,11-12,22-23H,7-10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorios Dr. Esteve S.A. Curated by ChEMBL					Assay Description Inhibition of [3H]-LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HEK293 cells				J Med Chem 48: 1781-95 (2005) Article DOI: 10.1021/jm049615n BindingDB Entry DOI: 10.7270/Q2ZP45N9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50163071 (Biphenyl-4-sulfonic acid [3-(2-diethylamino-ethyl)...) Show SMILES CCN(CC)CCc1c[nH]c2ccc(NS(=O)(=O)c3ccc(cc3)-c3ccccc3)cc12 Show InChI InChI=1S/C26H29N3O2S/c1-3-29(4-2)17-16-22-19-27-26-15-12-23(18-25(22)26)28-32(30,31)24-13-10-21(11-14-24)20-8-6-5-7-9-20/h5-15,18-19,27-28H,3-4,16-17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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
Laboratorios Dr. Esteve S.A. Curated by ChEMBL					Assay Description Inhibition of [3H]-LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HEK293 cells				J Med Chem 48: 1781-95 (2005) Article DOI: 10.1021/jm049615n BindingDB Entry DOI: 10.7270/Q2ZP45N9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50163077 (5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonic aci...) Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)cc12 Show InChI InChI=1S/C23H24ClN3O2S2/c1-14-18-11-16(24)3-6-22(18)30-23(14)31(28,29)26-17-4-5-21-19(12-17)20(13-25-21)15-7-9-27(2)10-8-15/h3-6,11-13,15,25-26H,7-10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorios Dr. Esteve S.A. Curated by ChEMBL					Assay Description Inhibition of [3H]-LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HEK293 cells				J Med Chem 48: 1781-95 (2005) Article DOI: 10.1021/jm049615n BindingDB Entry DOI: 10.7270/Q2ZP45N9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50163052 (6-Chloro-imidazo[2,1-b]thiazole-5-sulfonic acid [1...) Show SMILES CN(C)CCn1ccc2cc(NS(=O)(=O)c3c(Cl)nc4sccn34)ccc12 Show InChI InChI=1S/C17H18ClN5O2S2/c1-21(2)7-8-22-6-5-12-11-13(3-4-14(12)22)20-27(24,25)16-15(18)19-17-23(16)9-10-26-17/h3-6,9-11,20H,7-8H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorios Dr. Esteve S.A. Curated by ChEMBL					Assay Description Inhibition of [3H]-LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HEK293 cells				J Med Chem 48: 1781-95 (2005) Article DOI: 10.1021/jm049615n BindingDB Entry DOI: 10.7270/Q2ZP45N9
					More data for this Ligand-Target Pair
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	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-(+)-pentazocine from human sigma1 receptor expressed in HEK293 cell membranes incubated for 120 mins by liquid scintillation cou...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01575 BindingDB Entry DOI: 10.7270/Q21N84SG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50555111 (CHEMBL4760287) Show SMILES Cc1cc(COCCN2CCCCC2)nn1-c1ccc(Cl)c(Cl)c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-(+)-pentazocine from human sigma1 receptor expressed in HEK293 cell membranes incubated for 120 mins by liquid scintillation cou...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01575 BindingDB Entry DOI: 10.7270/Q21N84SG
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50555113 (CHEMBL4790686) Show SMILES Clc1ccc(cc1Cl)-n1ccc(COCCN2CCOCC2)n1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-(+)-pentazocine from human sigma1 receptor expressed in HEK293 cell membranes incubated for 120 mins by liquid scintillation cou...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01575 BindingDB Entry DOI: 10.7270/Q21N84SG
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM34152 (CHEMBL362628 | E-6801) Show SMILES CN(C)CCc1c[nH]c2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc12 Show InChI InChI=1S/C17H18ClN5O2S2/c1-22(2)6-5-11-10-19-14-4-3-12(9-13(11)14)21-27(24,25)16-15(18)20-17-23(16)7-8-26-17/h3-4,7-10,19,21H,5-6H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorios Dr. Esteve S.A. Curated by ChEMBL					Assay Description Inhibition of [3H]-LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HEK293 cells				J Med Chem 48: 1781-95 (2005) Article DOI: 10.1021/jm049615n BindingDB Entry DOI: 10.7270/Q2ZP45N9
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50555109 (CHEMBL4759343) Show SMILES C[C@H]1CN(CCOCc2cc(C)n(n2)-c2ccc(Cl)c(Cl)c2)C[C@@H](C)O1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-(+)-pentazocine from human sigma1 receptor expressed in HEK293 cell membranes incubated for 120 mins by liquid scintillation cou...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01575 BindingDB Entry DOI: 10.7270/Q21N84SG
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50163102 (5-Chloro-naphthalene-1-sulfonic acid [3-(2-diethyl...) Show SMILES CCN(CC)CCc1c[nH]c2ccc(NS(=O)(=O)c3cccc4c(Cl)cccc34)cc12 Show InChI InChI=1S/C24H26ClN3O2S/c1-3-28(4-2)14-13-17-16-26-23-12-11-18(15-21(17)23)27-31(29,30)24-10-6-7-19-20(24)8-5-9-22(19)25/h5-12,15-16,26-27H,3-4,13-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
Laboratorios Dr. Esteve S.A. Curated by ChEMBL					Assay Description Inhibition of [3H]-LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HEK293 cells				J Med Chem 48: 1781-95 (2005) Article DOI: 10.1021/jm049615n BindingDB Entry DOI: 10.7270/Q2ZP45N9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50163097 (CHEMBL180425 | Naphthalene-1-sulfonic acid [3-(2-d...) Show SMILES CCN(CC)CCc1c[nH]c2ccc(NS(=O)(=O)c3cccc4ccccc34)cc12 Show InChI InChI=1S/C24H27N3O2S/c1-3-27(4-2)15-14-19-17-25-23-13-12-20(16-22(19)23)26-30(28,29)24-11-7-9-18-8-5-6-10-21(18)24/h5-13,16-17,25-26H,3-4,14-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase 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
Laboratorios Dr. Esteve S.A. Curated by ChEMBL					Assay Description Inhibition of [3H]-LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HEK293 cells				J Med Chem 48: 1781-95 (2005) Article DOI: 10.1021/jm049615n BindingDB Entry DOI: 10.7270/Q2ZP45N9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50163080 (CHEMBL176292 | Naphthalene-2-sulfonic acid [3-(2-d...) Show SMILES CCCN(CCC)CCc1c[nH]c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc12 Show InChI InChI=1S/C26H31N3O2S/c1-3-14-29(15-4-2)16-13-22-19-27-26-12-10-23(18-25(22)26)28-32(30,31)24-11-9-20-7-5-6-8-21(20)17-24/h5-12,17-19,27-28H,3-4,13-16H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorios Dr. Esteve S.A. Curated by ChEMBL					Assay Description Inhibition of [3H]-LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HEK293 cells				J Med Chem 48: 1781-95 (2005) Article DOI: 10.1021/jm049615n BindingDB Entry DOI: 10.7270/Q2ZP45N9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50163059 (5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonic aci...) Show SMILES Cc1c(sc2ccc(Cl)cc12)S(=O)(=O)Nc1ccc2[nH]cc(CCN3CCCC3)c2c1 Show InChI InChI=1S/C23H24ClN3O2S2/c1-15-19-12-17(24)4-7-22(19)30-23(15)31(28,29)26-18-5-6-21-20(13-18)16(14-25-21)8-11-27-9-2-3-10-27/h4-7,12-14,25-26H,2-3,8-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorios Dr. Esteve S.A. Curated by ChEMBL					Assay Description Inhibition of [3H]-LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HEK293 cells				J Med Chem 48: 1781-95 (2005) Article DOI: 10.1021/jm049615n BindingDB Entry DOI: 10.7270/Q2ZP45N9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50163086 (CHEMBL427134 | Naphthalene-2-sulfonic acid [3-(2-p...) Show SMILES O=S(=O)(Nc1ccc2[nH]cc(CCN3CCCC3)c2c1)c1ccc2ccccc2c1 Show InChI InChI=1S/C24H25N3O2S/c28-30(29,22-9-7-18-5-1-2-6-19(18)15-22)26-21-8-10-24-23(16-21)20(17-25-24)11-14-27-12-3-4-13-27/h1-2,5-10,15-17,25-26H,3-4,11-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorios Dr. Esteve S.A. Curated by ChEMBL					Assay Description Inhibition of [3H]-LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HEK293 cells				J Med Chem 48: 1781-95 (2005) Article DOI: 10.1021/jm049615n BindingDB Entry DOI: 10.7270/Q2ZP45N9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50163098 (CHEMBL367867 | Naphthalene-1-sulfonic acid [3-(2-p...) Show SMILES O=S(=O)(Nc1ccc2[nH]cc(CCN3CCCC3)c2c1)c1cccc2ccccc12 Show InChI InChI=1S/C24H25N3O2S/c28-30(29,24-9-5-7-18-6-1-2-8-21(18)24)26-20-10-11-23-22(16-20)19(17-25-23)12-15-27-13-3-4-14-27/h1-2,5-11,16-17,25-26H,3-4,12-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
Laboratorios Dr. Esteve S.A. Curated by ChEMBL					Assay Description Inhibition of [3H]-LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HEK293 cells				J Med Chem 48: 1781-95 (2005) Article DOI: 10.1021/jm049615n BindingDB Entry DOI: 10.7270/Q2ZP45N9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50163040 (CHEMBL361230 | Naphthalene-1-sulfonic acid [3-(1-m...) Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(NS(=O)(=O)c3cccc4ccccc34)cc12 Show InChI InChI=1S/C24H25N3O2S/c1-27-13-11-18(12-14-27)22-16-25-23-10-9-19(15-21(22)23)26-30(28,29)24-8-4-6-17-5-2-3-7-20(17)24/h2-10,15-16,18,25-26H,11-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
Laboratorios Dr. Esteve S.A. Curated by ChEMBL					Assay Description Inhibition of [3H]-LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HEK293 cells				J Med Chem 48: 1781-95 (2005) Article DOI: 10.1021/jm049615n BindingDB Entry DOI: 10.7270/Q2ZP45N9
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50077877 (CHEMBL3417042 | US9611229, 2) Show SMILES Clc1ccc(cc1Cl)-n1cc(NCCN2CCCCC2)nn1 Show InChI InChI=1S/C15H19Cl2N5/c16-13-5-4-12(10-14(13)17)22-11-15(19-20-22)18-6-9-21-7-2-1-3-8-21/h4-5,10-11,18H,1-3,6-9H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LABORATORIOS DEL DR. ESTEVE S.A. US Patent					Assay Description Brain membrane preparation and binding assays for the 61-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y. For...				US Patent US9611229 (2017) BindingDB Entry DOI: 10.7270/Q2T155QS
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50555104 (CHEMBL4762627) Show SMILES Cc1cc(CCCN2CCOCC2)nn1-c1ccc(Cl)c(Cl)c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-(+)-pentazocine from human sigma1 receptor expressed in HEK293 cell membranes incubated for 120 mins by liquid scintillation cou...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01575 BindingDB Entry DOI: 10.7270/Q21N84SG
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50077877 (CHEMBL3417042 | US9611229, 2) Show SMILES Clc1ccc(cc1Cl)-n1cc(NCCN2CCCCC2)nn1 Show InChI InChI=1S/C15H19Cl2N5/c16-13-5-4-12(10-14(13)17)22-11-15(19-20-22)18-6-9-21-7-2-1-3-8-21/h4-5,10-11,18H,1-3,6-9H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Esteve Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from human sigma 1 receptor transfected in HEK293 cells after 120 mins by liquid scintillation counting				J Med Chem 58: 2441-51 (2015) Article DOI: 10.1021/jm501920g BindingDB Entry DOI: 10.7270/Q29C704N
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50163034 (CHEMBL175471 | Naphthalene-2-sulfonic acid [3-(2-d...) Show SMILES CCN(CC)CCc1c[nH]c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc12 Show InChI InChI=1S/C24H27N3O2S/c1-3-27(4-2)14-13-20-17-25-24-12-10-21(16-23(20)24)26-30(28,29)22-11-9-18-7-5-6-8-19(18)15-22/h5-12,15-17,25-26H,3-4,13-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorios Dr. Esteve S.A. Curated by ChEMBL					Assay Description Inhibition of [3H]-LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HEK293 cells				J Med Chem 48: 1781-95 (2005) Article DOI: 10.1021/jm049615n BindingDB Entry DOI: 10.7270/Q2ZP45N9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50163034 (CHEMBL175471 | Naphthalene-2-sulfonic acid [3-(2-d...) Show SMILES CCN(CC)CCc1c[nH]c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc12 Show InChI InChI=1S/C24H27N3O2S/c1-3-27(4-2)14-13-20-17-25-24-12-10-21(16-23(20)24)26-30(28,29)22-11-9-18-7-5-6-8-19(18)15-22/h5-12,15-17,25-26H,3-4,13-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorios Dr. Esteve S.A. Curated by ChEMBL					Assay Description Inhibition of [3H]-LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HEK293 cells				J Med Chem 48: 1781-95 (2005) Article DOI: 10.1021/jm049615n BindingDB Entry DOI: 10.7270/Q2ZP45N9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50163055 (5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonic aci...) Show SMILES CN(C)Cc1c[nH]c2ccc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)cc12 Show InChI InChI=1S/C20H20ClN3O2S2/c1-12-16-8-14(21)4-7-19(16)27-20(12)28(25,26)23-15-5-6-18-17(9-15)13(10-22-18)11-24(2)3/h4-10,22-23H,11H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorios Dr. Esteve S.A. Curated by ChEMBL					Assay Description Inhibition of [3H]-LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HEK293 cells				J Med Chem 48: 1781-95 (2005) Article DOI: 10.1021/jm049615n BindingDB Entry DOI: 10.7270/Q2ZP45N9
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50555110 (CHEMBL4792105) Show SMILES Cc1cc(COCCN2CCCC2)nn1-c1ccc(Cl)c(Cl)c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-(+)-pentazocine from human sigma1 receptor expressed in HEK293 cell membranes incubated for 120 mins by liquid scintillation cou...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01575 BindingDB Entry DOI: 10.7270/Q21N84SG
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50163073 (Biphenyl-4-sulfonic acid [3-(1-methyl-piperidin-4-...) Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(NS(=O)(=O)c3ccc(cc3)-c3ccccc3)cc12 Show InChI InChI=1S/C26H27N3O2S/c1-29-15-13-21(14-16-29)25-18-27-26-12-9-22(17-24(25)26)28-32(30,31)23-10-7-20(8-11-23)19-5-3-2-4-6-19/h2-12,17-18,21,27-28H,13-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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
Laboratorios Dr. Esteve S.A. Curated by ChEMBL					Assay Description Inhibition of [3H]-LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HEK293 cells				J Med Chem 48: 1781-95 (2005) Article DOI: 10.1021/jm049615n BindingDB Entry DOI: 10.7270/Q2ZP45N9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50163064 (CHEMBL175529 | Naphthalene-1-sulfonic acid [3-(2-d...) Show SMILES CCCCN(CCCC)CCc1c[nH]c2ccc(NS(=O)(=O)c3cccc4ccccc34)cc12 Show InChI InChI=1S/C28H35N3O2S/c1-3-5-17-31(18-6-4-2)19-16-23-21-29-27-15-14-24(20-26(23)27)30-34(32,33)28-13-9-11-22-10-7-8-12-25(22)28/h7-15,20-21,29-30H,3-6,16-19H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorios Dr. Esteve S.A. Curated by ChEMBL					Assay Description Inhibition of [3H]-LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HEK293 cells				J Med Chem 48: 1781-95 (2005) Article DOI: 10.1021/jm049615n BindingDB Entry DOI: 10.7270/Q2ZP45N9
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50077891 (CHEMBL3417066 | US9611229, 12) Show SMILES Clc1ccc(Cn2cc(NCCN3CCCCCC3)nn2)cc1Cl Show InChI InChI=1S/C17H23Cl2N5/c18-15-6-5-14(11-16(15)19)12-24-13-17(21-22-24)20-7-10-23-8-3-1-2-4-9-23/h5-6,11,13,20H,1-4,7-10,12H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	8.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LABORATORIOS DEL DR. ESTEVE S.A. US Patent					Assay Description Brain membrane preparation and binding assays for the 61-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y. For...				US Patent US9611229 (2017) BindingDB Entry DOI: 10.7270/Q2T155QS
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50555102 (CHEMBL4776009) Show SMILES CC(=O)N1CCN(CCCOCc2cc(C)n(n2)-c2ccc(Cl)c(Cl)c2)CC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-(+)-pentazocine from human sigma1 receptor expressed in HEK293 cell membranes incubated for 120 mins by liquid scintillation cou...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01575 BindingDB Entry DOI: 10.7270/Q21N84SG
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50555103 (CHEMBL4795798) Show SMILES Cc1cc(CCCCN2CCOCC2)nn1-c1ccc(Cl)c(Cl)c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-(+)-pentazocine from human sigma1 receptor expressed in HEK293 cell membranes incubated for 120 mins by liquid scintillation cou...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01575 BindingDB Entry DOI: 10.7270/Q21N84SG
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50077891 (CHEMBL3417066 | US9611229, 12) Show SMILES Clc1ccc(Cn2cc(NCCN3CCCCCC3)nn2)cc1Cl Show InChI InChI=1S/C17H23Cl2N5/c18-15-6-5-14(11-16(15)19)12-24-13-17(21-22-24)20-7-10-23-8-3-1-2-4-9-23/h5-6,11,13,20H,1-4,7-10,12H2	PDB UniProtKB/SwissProt antibodypedia 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
Esteve Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from human sigma 1 receptor transfected in HEK293 cells after 120 mins by liquid scintillation counting				J Med Chem 58: 2441-51 (2015) Article DOI: 10.1021/jm501920g BindingDB Entry DOI: 10.7270/Q29C704N
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50163038 (3,5-Dichloro-N-[3-(2-diethylamino-ethyl)-1H-indol-...) Show SMILES CCN(CC)CCc1c[nH]c2ccc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)cc12 Show InChI InChI=1S/C20H23Cl2N3O2S/c1-3-25(4-2)8-7-14-13-23-20-6-5-17(12-19(14)20)24-28(26,27)18-10-15(21)9-16(22)11-18/h5-6,9-13,23-24H,3-4,7-8H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorios Dr. Esteve S.A. Curated by ChEMBL					Assay Description Inhibition of [3H]-LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HEK293 cells				J Med Chem 48: 1781-95 (2005) Article DOI: 10.1021/jm049615n BindingDB Entry DOI: 10.7270/Q2ZP45N9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50163079 (5-Chloro-naphthalene-1-sulfonic acid [3-(1-methyl-...) Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(NS(=O)(=O)c3cccc4c(Cl)cccc34)cc12 Show InChI InChI=1S/C24H24ClN3O2S/c1-28-12-10-16(11-13-28)21-15-26-23-9-8-17(14-20(21)23)27-31(29,30)24-7-3-4-18-19(24)5-2-6-22(18)25/h2-9,14-16,26-27H,10-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorios Dr. Esteve S.A. Curated by ChEMBL					Assay Description Inhibition of [3H]-LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HEK293 cells				J Med Chem 48: 1781-95 (2005) Article DOI: 10.1021/jm049615n BindingDB Entry DOI: 10.7270/Q2ZP45N9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50163091 (6-Chloro-imidazo[2,1-b]thiazole-5-sulfonic acid [1...) Show SMILES Clc1nc2sccn2c1S(=O)(=O)Nc1ccc2n(CCN3CCCC3)ccc2c1 Show InChI InChI=1S/C19H20ClN5O2S2/c20-17-18(25-11-12-28-19(25)21-17)29(26,27)22-15-3-4-16-14(13-15)5-8-24(16)10-9-23-6-1-2-7-23/h3-5,8,11-13,22H,1-2,6-7,9-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorios Dr. Esteve S.A. Curated by ChEMBL					Assay Description Inhibition of [3H]-LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HEK293 cells				J Med Chem 48: 1781-95 (2005) Article DOI: 10.1021/jm049615n BindingDB Entry DOI: 10.7270/Q2ZP45N9
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50077886 (CHEMBL3417058 | US9611229, 9) Show SMILES Clc1ccc(Cn2cc(NCCN3CCCCC3)nn2)cc1Cl Show InChI InChI=1S/C16H21Cl2N5/c17-14-5-4-13(10-15(14)18)11-23-12-16(20-21-23)19-6-9-22-7-2-1-3-8-22/h4-5,10,12,19H,1-3,6-9,11H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Esteve Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from human sigma 1 receptor transfected in HEK293 cells after 120 mins by liquid scintillation counting				J Med Chem 58: 2441-51 (2015) Article DOI: 10.1021/jm501920g BindingDB Entry DOI: 10.7270/Q29C704N
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50396335 (CHEMBL2170054) Show SMILES Clc1ccc(cc1Cl)-n1ccc(NCCN2CCCCC2)n1 Show InChI InChI=1S/C16H20Cl2N4/c17-14-5-4-13(12-15(14)18)22-10-6-16(20-22)19-7-11-21-8-2-1-3-9-21/h4-6,10,12H,1-3,7-9,11H2,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia 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
Esteve Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from human sigma 1 receptor transfected in HEK293 cells after 120 mins by liquid scintillation counting				J Med Chem 58: 2441-51 (2015) Article DOI: 10.1021/jm501920g BindingDB Entry DOI: 10.7270/Q29C704N
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50077886 (CHEMBL3417058 | US9611229, 9) Show SMILES Clc1ccc(Cn2cc(NCCN3CCCCC3)nn2)cc1Cl Show InChI InChI=1S/C16H21Cl2N5/c17-14-5-4-13(10-15(14)18)11-23-12-16(20-21-23)19-6-9-22-7-2-1-3-8-22/h4-5,10,12,19H,1-3,6-9,11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	10.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LABORATORIOS DEL DR. ESTEVE S.A. US Patent					Assay Description Brain membrane preparation and binding assays for the 61-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y. For...				US Patent US9611229 (2017) BindingDB Entry DOI: 10.7270/Q2T155QS
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM314366 (N-(2-(azepan-1- yl)ethyl)-1-(1- adamantyl)-1H- 1,2...) Show SMILES C(CN1CCCCCC1)Nc1cn(nn1)C12CC3CC(CC(C3)C1)C2 |TLB:22:21:16.17.18:24,THB:20:21:16:18.19.24| Show InChI InChI=1S/C20H33N5/c1-2-4-7-24(6-3-1)8-5-21-19-15-25(23-22-19)20-12-16-9-17(13-20)11-18(10-16)14-20/h15-18,21H,1-14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	10.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LABORATORIOS DEL DR. ESTEVE S.A. US Patent					Assay Description Brain membrane preparation and binding assays for the 61-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y. For...				US Patent US9611229 (2017) BindingDB Entry DOI: 10.7270/Q2T155QS
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50077899 (CHEMBL3417052 | US9611229, 13) Show SMILES Fc1cccc(c1)-n1cc(NCCN2CCCCCC2)nn1 Show InChI InChI=1S/C16H22FN5/c17-14-6-5-7-15(12-14)22-13-16(19-20-22)18-8-11-21-9-3-1-2-4-10-21/h5-7,12-13,18H,1-4,8-11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	11.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LABORATORIOS DEL DR. ESTEVE S.A. US Patent					Assay Description Brain membrane preparation and binding assays for the 61-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y. For...				US Patent US9611229 (2017) BindingDB Entry DOI: 10.7270/Q2T155QS
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50077899 (CHEMBL3417052 | US9611229, 13) Show SMILES Fc1cccc(c1)-n1cc(NCCN2CCCCCC2)nn1 Show InChI InChI=1S/C16H22FN5/c17-14-6-5-7-15(12-14)22-13-16(19-20-22)18-8-11-21-9-3-1-2-4-10-21/h5-7,12-13,18H,1-4,8-11H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Esteve Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from human sigma 1 receptor transfected in HEK293 cells after 120 mins by liquid scintillation counting				J Med Chem 58: 2441-51 (2015) Article DOI: 10.1021/jm501920g BindingDB Entry DOI: 10.7270/Q29C704N
					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	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-(+)-pentazocine from human sigma1 receptor expressed in HEK293 cell membranes incubated for 120 mins by liquid scintillation cou...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01575 BindingDB Entry DOI: 10.7270/Q21N84SG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50077905 (CHEMBL3417068 | US9611229, 33) Show SMILES Clc1ccc(Cn2cc(NCCN3CCCOCC3)nn2)cc1Cl Show InChI InChI=1S/C16H21Cl2N5O/c17-14-3-2-13(10-15(14)18)11-23-12-16(20-21-23)19-4-6-22-5-1-8-24-9-7-22/h2-3,10,12,19H,1,4-9,11H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Esteve Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from human sigma 1 receptor transfected in HEK293 cells after 120 mins by liquid scintillation counting				J Med Chem 58: 2441-51 (2015) Article DOI: 10.1021/jm501920g BindingDB Entry DOI: 10.7270/Q29C704N
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50077905 (CHEMBL3417068 | US9611229, 33) Show SMILES Clc1ccc(Cn2cc(NCCN3CCCOCC3)nn2)cc1Cl Show InChI InChI=1S/C16H21Cl2N5O/c17-14-3-2-13(10-15(14)18)11-23-12-16(20-21-23)19-4-6-22-5-1-8-24-9-7-22/h2-3,10,12,19H,1,4-9,11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	13.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LABORATORIOS DEL DR. ESTEVE S.A. US Patent					Assay Description Brain membrane preparation and binding assays for the 61-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y. For...				US Patent US9611229 (2017) BindingDB Entry DOI: 10.7270/Q2T155QS
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50555114 (CHEMBL4792110) Show SMILES Cc1cc(COCCN2CCOCC2)nn1-c1ccc(Cl)c(Cl)c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-(+)-pentazocine from human sigma1 receptor expressed in HEK293 cell membranes incubated for 120 mins by liquid scintillation cou...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01575 BindingDB Entry DOI: 10.7270/Q21N84SG
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50090524 (4-Amino-N-(2,6-bis-methylamino-pyridin-4-yl)-benze...) Show SMILES CNc1cc(NS(=O)(=O)c2ccc(N)cc2)cc(NC)n1 Show InChI InChI=1S/C13H17N5O2S/c1-15-12-7-10(8-13(16-2)17-12)18-21(19,20)11-5-3-9(14)4-6-11/h3-8H,14H2,1-2H3,(H3,15,16,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	14.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorios Dr. Esteve S.A. Curated by ChEMBL					Assay Description Inhibition of [3H]-LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HEK293 cells				J Med Chem 48: 1781-95 (2005) Article DOI: 10.1021/jm049615n BindingDB Entry DOI: 10.7270/Q2ZP45N9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50163060 (CHEMBL176117 | Naphthalene-2-sulfonic acid [1-(2-d...) Show SMILES CN(C)CCn1ccc2c(NS(=O)(=O)c3ccc4ccccc4c3)cccc12 Show InChI InChI=1S/C22H23N3O2S/c1-24(2)14-15-25-13-12-20-21(8-5-9-22(20)25)23-28(26,27)19-11-10-17-6-3-4-7-18(17)16-19/h3-13,16,23H,14-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorios Dr. Esteve S.A. Curated by ChEMBL					Assay Description Inhibition of [3H]-LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HEK293 cells				J Med Chem 48: 1781-95 (2005) Article DOI: 10.1021/jm049615n BindingDB Entry DOI: 10.7270/Q2ZP45N9
					More data for this Ligand-Target Pair

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