Compile Data Set for Download or QSAR

Found 519 hits with Last Name = 'buschmann' and Initial = 'h'   

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
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50252721 (1-(Cyclohexylmethyl)-6-methoxy-6,7-dihydrospiro[pi...) Show SMILES COC1Cc2sccc2C2(CCN(CC3CCCCC3)CC2)O1 Show InChI InChI=1S/C19H29NO2S/c1-21-18-13-17-16(7-12-23-17)19(22-18)8-10-20(11-9-19)14-15-5-3-2-4-6-15/h7,12,15,18H,2-6,8-11,13-14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)pentazocine from guinea pig brain sigma 1-type opioid receptor after 120 mins by scintillation counting analysis				J Med Chem 55: 5350-60 (2012) Article DOI: 10.1021/jm300302p BindingDB Entry DOI: 10.7270/Q2VX0HMZ
					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
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50389025 (CHEMBL2064198) Show SMILES C(N1CCC2(CC1)OCCc1sccc21)c1ccccc1 Show InChI InChI=1S/C18H21NOS/c1-2-4-15(5-3-1)14-19-10-8-18(9-11-19)16-7-13-21-17(16)6-12-20-18/h1-5,7,13H,6,8-12,14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)pentazocine from guinea pig brain sigma 1-type opioid receptor after 120 mins by scintillation counting analysis				J Med Chem 55: 5350-60 (2012) Article DOI: 10.1021/jm300302p BindingDB Entry DOI: 10.7270/Q2VX0HMZ
					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
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50321782 (1-(cyclohexylmethyl)-1'-phenyl-6',7'-dihydro-1'H-s...) Show SMILES C(C1CCCCC1)N1CCC2(CC1)OCCc1c2cnn1-c1ccccc1 Show InChI InChI=1S/C23H31N3O/c1-3-7-19(8-4-1)18-25-14-12-23(13-15-25)21-17-24-26(22(21)11-16-27-23)20-9-5-2-6-10-20/h2,5-6,9-10,17,19H,1,3-4,7-8,11-16,18H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from guinea pig brain sigma 1 receptor after 180 mins by scintillation counting				J Med Chem 54: 6704-13 (2011) Article DOI: 10.1021/jm200585k BindingDB Entry DOI: 10.7270/Q22R3SN0
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50389031 (CHEMBL2064201) Show SMILES N#CC1Cc2sccc2C2(CCN(CC3CCCCC3)CC2)O1 Show InChI InChI=1S/C19H26N2OS/c20-13-16-12-18-17(6-11-23-18)19(22-16)7-9-21(10-8-19)14-15-4-2-1-3-5-15/h6,11,15-16H,1-5,7-10,12,14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)pentazocine from guinea pig brain sigma 1-type opioid receptor after 120 mins by scintillation counting analysis				J Med Chem 55: 5350-60 (2012) Article DOI: 10.1021/jm300302p BindingDB Entry DOI: 10.7270/Q2VX0HMZ
					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
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50353612 (CHEMBL1829574) Show SMILES COC1Cc2c(cnn2-c2ccccc2)C2(CCN(CC3CCCCC3)CC2)O1 Show InChI InChI=1S/C24H33N3O2/c1-28-23-16-22-21(17-25-27(22)20-10-6-3-7-11-20)24(29-23)12-14-26(15-13-24)18-19-8-4-2-5-9-19/h3,6-7,10-11,17,19,23H,2,4-5,8-9,12-16,18H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from guinea pig brain sigma 1 receptor after 180 mins by scintillation counting				J Med Chem 54: 6704-13 (2011) Article DOI: 10.1021/jm200585k BindingDB Entry DOI: 10.7270/Q22R3SN0
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50321753 (1-(cyclohexylmethyl)-6',7'-dihydrospiro[piperidine...) Show SMILES C(C1CCCCC1)N1CCC2(CC1)OCCc1sccc21 Show InChI InChI=1S/C18H27NOS/c1-2-4-15(5-3-1)14-19-10-8-18(9-11-19)16-7-13-21-17(16)6-12-20-18/h7,13,15H,1-6,8-12,14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)pentazocine from guinea pig brain sigma 1-type opioid receptor after 120 mins by scintillation counting analysis				J Med Chem 55: 5350-60 (2012) Article DOI: 10.1021/jm300302p BindingDB Entry DOI: 10.7270/Q2VX0HMZ
					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))	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
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50321793 (1'-phenyl-1-(3-phenylpropyl)-6',7'-dihydro-1'H-spi...) Show SMILES C(CN1CCC2(CC1)OCCc1c2cnn1-c1ccccc1)Cc1ccccc1 Show InChI InChI=1S/C25H29N3O/c1-3-8-21(9-4-1)10-7-16-27-17-14-25(15-18-27)23-20-26-28(24(23)13-19-29-25)22-11-5-2-6-12-22/h1-6,8-9,11-12,20H,7,10,13-19H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.810	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from guinea pig brain sigma 1 receptor after 180 mins by scintillation counting				J Med Chem 54: 6704-13 (2011) Article DOI: 10.1021/jm200585k BindingDB Entry DOI: 10.7270/Q22R3SN0
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50353614 (CHEMBL1829579) Show SMILES CCCCCN1CCC2(CC1)OC(Cc1c2cnn1-c1ccccc1)OC Show InChI InChI=1S/C22H31N3O2/c1-3-4-8-13-24-14-11-22(12-15-24)19-17-23-25(18-9-6-5-7-10-18)20(19)16-21(26-2)27-22/h5-7,9-10,17,21H,3-4,8,11-16H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from guinea pig brain sigma 1 receptor after 180 mins by scintillation counting				J Med Chem 54: 6704-13 (2011) Article DOI: 10.1021/jm200585k BindingDB Entry DOI: 10.7270/Q22R3SN0
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50237495 (CHEMBL4092504) Show SMILES CN(C(=O)Cc1ccc(cc1)-c1cccc(F)c1)c1nc(C)c(s1)S(N)(=O)=O Show InChI InChI=1S/C19H18FN3O3S2/c1-12-18(28(21,25)26)27-19(22-12)23(2)17(24)10-13-6-8-14(9-7-13)15-4-3-5-16(20)11-15/h3-9,11H,10H2,1-2H3,(H2,21,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of recombinant human Carbonic anhydrase 9 assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 10...				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50237365 (CHEMBL4090611) Show SMILES CN(C(=O)Cc1ccc(cc1)-c1ccccc1)c1nc(C)c(s1)S(N)(=O)=O Show InChI InChI=1S/C19H19N3O3S2/c1-13-18(27(20,24)25)26-19(21-13)22(2)17(23)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H2,20,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of recombinant human Carbonic anhydrase 9 assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 10...				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50237365 (CHEMBL4090611) Show SMILES CN(C(=O)Cc1ccc(cc1)-c1ccccc1)c1nc(C)c(s1)S(N)(=O)=O Show InChI InChI=1S/C19H19N3O3S2/c1-13-18(27(20,24)25)26-19(21-13)22(2)17(23)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H2,20,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of recombinant human Carbonic anhydrase 2 assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 10...				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50353607 (CHEMBL1829568) Show SMILES COC1Cc2c(cnn2-c2ccccc2)C2(CCN(Cc3ccc(F)cc3)CC2)O1 Show InChI InChI=1S/C24H26FN3O2/c1-29-23-15-22-21(16-26-28(22)20-5-3-2-4-6-20)24(30-23)11-13-27(14-12-24)17-18-7-9-19(25)10-8-18/h2-10,16,23H,11-15,17H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.940	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from guinea pig brain sigma 1 receptor after 180 mins by scintillation counting				J Med Chem 54: 6704-13 (2011) Article DOI: 10.1021/jm200585k BindingDB Entry DOI: 10.7270/Q22R3SN0
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50353615 (CHEMBL1829580) Show SMILES COC1Cc2c(cnn2-c2ccccc2)C2(CCN(CCC(C)C)CC2)O1 Show InChI InChI=1S/C22H31N3O2/c1-17(2)9-12-24-13-10-22(11-14-24)19-16-23-25(18-7-5-4-6-8-18)20(19)15-21(26-3)27-22/h4-8,16-17,21H,9-15H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.970	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from guinea pig brain sigma 1 receptor after 180 mins by scintillation counting				J Med Chem 54: 6704-13 (2011) Article DOI: 10.1021/jm200585k BindingDB Entry DOI: 10.7270/Q22R3SN0
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50353626 (CHEMBL1829671) Show SMILES CC(=C)CCN1CCC2(CC1)OCCc1c2cnn1-c1ccccc1 Show InChI InChI=1S/C21H27N3O/c1-17(2)8-12-23-13-10-21(11-14-23)19-16-22-24(20(19)9-15-25-21)18-6-4-3-5-7-18/h3-7,16H,1,8-15H2,2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.970	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from guinea pig brain sigma 1 receptor after 180 mins by scintillation counting				J Med Chem 54: 6704-13 (2011) Article DOI: 10.1021/jm200585k BindingDB Entry DOI: 10.7270/Q22R3SN0
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50353625 (CHEMBL1829670) Show SMILES CC(C)CCN1CCC2(CC1)OCCc1c2cnn1-c1ccccc1 Show InChI InChI=1S/C21H29N3O/c1-17(2)8-12-23-13-10-21(11-14-23)19-16-22-24(20(19)9-15-25-21)18-6-4-3-5-7-18/h3-7,16-17H,8-15H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.980	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from guinea pig brain sigma 1 receptor after 180 mins by scintillation counting				J Med Chem 54: 6704-13 (2011) Article DOI: 10.1021/jm200585k BindingDB Entry DOI: 10.7270/Q22R3SN0
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50237363 (CHEMBL4100366) Show SMILES CCc1nc(sc1S(N)(=O)=O)N(C)C(=O)Cc1ccc(cc1)-c1ccccn1 Show InChI InChI=1S/C19H20N4O3S2/c1-3-15-18(28(20,25)26)27-19(22-15)23(2)17(24)12-13-7-9-14(10-8-13)16-6-4-5-11-21-16/h4-11H,3,12H2,1-2H3,(H2,20,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of recombinant human Carbonic anhydrase 2 assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 10...				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50237369 (CHEMBL4084758) Show SMILES Cc1nc(sc1S(N)(=O)=O)N(C1CC1)C(=O)Cc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C21H21N3O3S2/c1-14-20(29(22,26)27)28-21(23-14)24(18-11-12-18)19(25)13-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-10,18H,11-13H2,1H3,(H2,22,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of recombinant human Carbonic anhydrase 9 assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 10...				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
					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))	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
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50321756 ((R)-1-benzyl-6'-methoxy-6',7'-dihydrospiro[piperid...) Show SMILES CO[C@H]1Cc2sc(cc2C2(CCN(Cc3ccccc3)CC2)O1)C#N |r| Show InChI InChI=1S/C20H22N2O2S/c1-23-19-12-18-17(11-16(13-21)25-18)20(24-19)7-9-22(10-8-20)14-15-5-3-2-4-6-15/h2-6,11,19H,7-10,12,14H2,1H3/t19-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)pentazocine from guinea pig brain sigma 1-type opioid receptor after 120 mins by scintillation counting analysis				J Med Chem 55: 5350-60 (2012) Article DOI: 10.1021/jm300302p BindingDB Entry DOI: 10.7270/Q2VX0HMZ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50108659 (1'-benzyl-3-methoxy-3H-spiro[2-benzofuran-1,4'-pip...) Show SMILES COC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12 Show InChI InChI=1S/C20H23NO2/c1-22-19-17-9-5-6-10-18(17)20(23-19)11-13-21(14-12-20)15-16-7-3-2-4-8-16/h2-10,19H,11-15H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from guinea pig brain sigma 1 receptor after 180 mins by scintillation counting				J Med Chem 54: 6704-13 (2011) Article DOI: 10.1021/jm200585k BindingDB Entry DOI: 10.7270/Q22R3SN0
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50108659 (1'-benzyl-3-methoxy-3H-spiro[2-benzofuran-1,4'-pip...) Show SMILES COC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12 Show InChI InChI=1S/C20H23NO2/c1-22-19-17-9-5-6-10-18(17)20(23-19)11-13-21(14-12-20)15-16-7-3-2-4-8-16/h2-10,19H,11-15H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)pentazocine from guinea pig brain sigma 1-type opioid receptor after 120 mins by scintillation counting analysis				J Med Chem 55: 5350-60 (2012) Article DOI: 10.1021/jm300302p BindingDB Entry DOI: 10.7270/Q2VX0HMZ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50389029 (CHEMBL2064184) Show SMILES COC1Cc2sc(Cl)cc2C2(CCN(Cc3ccccc3)CC2)O1 Show InChI InChI=1S/C19H22ClNO2S/c1-22-18-12-16-15(11-17(20)24-16)19(23-18)7-9-21(10-8-19)13-14-5-3-2-4-6-14/h2-6,11,18H,7-10,12-13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)pentazocine from guinea pig brain sigma 1-type opioid receptor after 120 mins by scintillation counting analysis				J Med Chem 55: 5350-60 (2012) Article DOI: 10.1021/jm300302p BindingDB Entry DOI: 10.7270/Q2VX0HMZ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50108653 (1'-benzyl-3-methoxyspiro[3,4-dihydro-1H-isochromen...) Show SMILES COC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1 Show InChI InChI=1S/C21H25NO2/c1-23-20-15-18-9-5-6-10-19(18)21(24-20)11-13-22(14-12-21)16-17-7-3-2-4-8-17/h2-10,20H,11-16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 180 mins by solid scintillation counting				Eur J Med Chem 53: 327-36 (2012) Article DOI: 10.1016/j.ejmech.2012.04.018 BindingDB Entry DOI: 10.7270/Q23R0TWQ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50108653 (1'-benzyl-3-methoxyspiro[3,4-dihydro-1H-isochromen...) Show SMILES COC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1 Show InChI InChI=1S/C21H25NO2/c1-23-20-15-18-9-5-6-10-19(18)21(24-20)11-13-22(14-12-21)16-17-7-3-2-4-8-17/h2-10,20H,11-16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from guinea pig brain sigma 1 receptor after 180 mins by scintillation counting				J Med Chem 54: 6704-13 (2011) Article DOI: 10.1021/jm200585k BindingDB Entry DOI: 10.7270/Q22R3SN0
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50108653 (1'-benzyl-3-methoxyspiro[3,4-dihydro-1H-isochromen...) Show SMILES COC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1 Show InChI InChI=1S/C21H25NO2/c1-23-20-15-18-9-5-6-10-19(18)21(24-20)11-13-22(14-12-21)16-17-7-3-2-4-8-17/h2-10,20H,11-16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain after 180 mins by scintillation counting				Eur J Med Chem 44: 4306-14 (2009) Article DOI: 10.1016/j.ejmech.2009.07.017 BindingDB Entry DOI: 10.7270/Q2G73FPV
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50389024 (CHEMBL2064202) Show SMILES N#CC1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1 Show InChI InChI=1S/C19H20N2OS/c20-13-16-12-18-17(6-11-23-18)19(22-16)7-9-21(10-8-19)14-15-4-2-1-3-5-15/h1-6,11,16H,7-10,12,14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)pentazocine from guinea pig brain sigma 1-type opioid receptor after 120 mins by scintillation counting analysis				J Med Chem 55: 5350-60 (2012) Article DOI: 10.1021/jm300302p BindingDB Entry DOI: 10.7270/Q2VX0HMZ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50353622 (CHEMBL1829667) Show SMILES C(N1CCC2(CC1)OC=Cc1c2cnn1-c1ccccc1)c1ccccc1 |c:9| Show InChI InChI=1S/C23H23N3O/c1-3-7-19(8-4-1)18-25-14-12-23(13-15-25)21-17-24-26(22(21)11-16-27-23)20-9-5-2-6-10-20/h1-11,16-17H,12-15,18H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from guinea pig brain sigma 1 receptor after 180 mins by scintillation counting				J Med Chem 54: 6704-13 (2011) Article DOI: 10.1021/jm200585k BindingDB Entry DOI: 10.7270/Q22R3SN0
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50321778 ((R)-1-benzyl-6'-methoxy-1'-phenyl-6',7'-dihydro-1'...) Show SMILES CO[C@H]1Cc2c(cnn2-c2ccccc2)C2(CCN(Cc3ccccc3)CC2)O1 |r| Show InChI InChI=1S/C24H27N3O2/c1-28-23-16-22-21(17-25-27(22)20-10-6-3-7-11-20)24(29-23)12-14-26(15-13-24)18-19-8-4-2-5-9-19/h2-11,17,23H,12-16,18H2,1H3/t23-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from guinea pig brain sigma 1 receptor after 180 mins by scintillation counting				J Med Chem 54: 6704-13 (2011) Article DOI: 10.1021/jm200585k BindingDB Entry DOI: 10.7270/Q22R3SN0
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50353608 (CHEMBL1829569) Show SMILES COC1Cc2c(cnn2-c2ccccc2)C2(CCN(Cc3ccc(OC)cc3)CC2)O1 Show InChI InChI=1S/C25H29N3O3/c1-29-21-10-8-19(9-11-21)18-27-14-12-25(13-15-27)22-17-26-28(20-6-4-3-5-7-20)23(22)16-24(30-2)31-25/h3-11,17,24H,12-16,18H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from guinea pig brain sigma 1 receptor after 180 mins by scintillation counting				J Med Chem 54: 6704-13 (2011) Article DOI: 10.1021/jm200585k BindingDB Entry DOI: 10.7270/Q22R3SN0
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50353616 (CHEMBL1829581) Show SMILES COC1Cc2c(cnn2-c2ccccc2)C2(CCN(CCC(C)=C)CC2)O1 Show InChI InChI=1S/C22H29N3O2/c1-17(2)9-12-24-13-10-22(11-14-24)19-16-23-25(18-7-5-4-6-8-18)20(19)15-21(26-3)27-22/h4-8,16,21H,1,9-15H2,2-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from guinea pig brain sigma 1 receptor after 180 mins by scintillation counting				J Med Chem 54: 6704-13 (2011) Article DOI: 10.1021/jm200585k BindingDB Entry DOI: 10.7270/Q22R3SN0
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50389033 (CHEMBL2064199) Show SMILES C(C1CCCCC1)N1CCC2(CC1)OC=Cc1sccc21 |c:16| Show InChI InChI=1S/C18H25NOS/c1-2-4-15(5-3-1)14-19-10-8-18(9-11-19)16-7-13-21-17(16)6-12-20-18/h6-7,12-13,15H,1-5,8-11,14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)pentazocine from guinea pig brain sigma 1-type opioid receptor after 120 mins by scintillation counting analysis				J Med Chem 55: 5350-60 (2012) Article DOI: 10.1021/jm300302p BindingDB Entry DOI: 10.7270/Q2VX0HMZ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50353624 (CHEMBL1829669) Show SMILES C(N1CCC2(CC1)OCCc1c2cnn1-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C23H25N3O/c1-3-7-19(8-4-1)18-25-14-12-23(13-15-25)21-17-24-26(22(21)11-16-27-23)20-9-5-2-6-10-20/h1-10,17H,11-16,18H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from guinea pig brain sigma 1 receptor after 180 mins by scintillation counting				J Med Chem 54: 6704-13 (2011) Article DOI: 10.1021/jm200585k BindingDB Entry DOI: 10.7270/Q22R3SN0
					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 (Cavia porcellus (Guinea pig))	BDBM50389032 (CHEMBL2064200) Show SMILES C(N1CCC2(CC1)OC=Cc1sccc21)c1ccccc1 |c:9| Show InChI InChI=1S/C18H19NOS/c1-2-4-15(5-3-1)14-19-10-8-18(9-11-19)16-7-13-21-17(16)6-12-20-18/h1-7,12-13H,8-11,14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)pentazocine from guinea pig brain sigma 1-type opioid receptor after 120 mins by scintillation counting analysis				J Med Chem 55: 5350-60 (2012) Article DOI: 10.1021/jm300302p BindingDB Entry DOI: 10.7270/Q2VX0HMZ
					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	2.10	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 cell membranes after 120 mins by scintillation counter				J Med Chem 55: 8211-24 (2012) Article DOI: 10.1021/jm3007323 BindingDB Entry DOI: 10.7270/Q2Z89DJM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50389025 (CHEMBL2064198) Show SMILES C(N1CCC2(CC1)OCCc1sccc21)c1ccccc1 Show InChI InChI=1S/C18H21NOS/c1-2-4-15(5-3-1)14-19-10-8-18(9-11-19)16-7-13-21-17(16)6-12-20-18/h1-5,7,13H,6,8-12,14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Binding affinity to human sigma 1-type opioid receptor				J Med Chem 55: 5350-60 (2012) Article DOI: 10.1021/jm300302p BindingDB Entry DOI: 10.7270/Q2VX0HMZ
					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 (Cavia porcellus (Guinea pig))	BDBM50353609 (CHEMBL1829570) Show SMILES COC1Cc2c(cnn2-c2ccccc2)C2(CCN(Cc3ccco3)CC2)O1 Show InChI InChI=1S/C22H25N3O3/c1-26-21-14-20-19(15-23-25(20)17-6-3-2-4-7-17)22(28-21)9-11-24(12-10-22)16-18-8-5-13-27-18/h2-8,13,15,21H,9-12,14,16H2,1H3	PDB UniProtKB/SwissProt 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
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from guinea pig brain sigma 1 receptor after 180 mins by scintillation counting				J Med Chem 54: 6704-13 (2011) Article DOI: 10.1021/jm200585k BindingDB Entry DOI: 10.7270/Q22R3SN0
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50302094 (1'-butyl-3-methoxyspiro[isochroman-1,4'-piperidine...) Show SMILES CCCCN1CCC2(CC1)OC(Cc1ccccc21)OC Show InChI InChI=1S/C18H27NO2/c1-3-4-11-19-12-9-18(10-13-19)16-8-6-5-7-15(16)14-17(20-2)21-18/h5-8,17H,3-4,9-14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain after 180 mins by scintillation counting				Eur J Med Chem 44: 4306-14 (2009) Article DOI: 10.1016/j.ejmech.2009.07.017 BindingDB Entry DOI: 10.7270/Q2G73FPV
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50302094 (1'-butyl-3-methoxyspiro[isochroman-1,4'-piperidine...) Show SMILES CCCCN1CCC2(CC1)OC(Cc1ccccc21)OC Show InChI InChI=1S/C18H27NO2/c1-3-4-11-19-12-9-18(10-13-19)16-8-6-5-7-15(16)14-17(20-2)21-18/h5-8,17H,3-4,9-14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 180 mins by solid scintillation counting				Eur J Med Chem 53: 327-36 (2012) Article DOI: 10.1016/j.ejmech.2012.04.018 BindingDB Entry DOI: 10.7270/Q23R0TWQ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50321786 ((R)-1-benzyl-2'-(dimethoxymethyl)-6'-methoxy-6',7'...) Show SMILES COC(OC)c1cc2c(C[C@H](OC)OC22CCN(Cc3ccccc3)CC2)s1 |r| Show InChI InChI=1S/C22H29NO4S/c1-24-20-14-18-17(13-19(28-18)21(25-2)26-3)22(27-20)9-11-23(12-10-22)15-16-7-5-4-6-8-16/h4-8,13,20-21H,9-12,14-15H2,1-3H3/t20-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL 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 f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)pentazocine from guinea pig brain sigma 1-type opioid receptor after 120 mins by scintillation counting analysis				J Med Chem 55: 5350-60 (2012) Article DOI: 10.1021/jm300302p BindingDB Entry DOI: 10.7270/Q2VX0HMZ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50353630 (CHEMBL1829571) Show SMILES COC1Cc2c(cnn2-c2ccccc2)C2(CCN(CCc3ccccc3)CC2)O1 Show InChI InChI=1S/C25H29N3O2/c1-29-24-18-23-22(19-26-28(23)21-10-6-3-7-11-21)25(30-24)13-16-27(17-14-25)15-12-20-8-4-2-5-9-20/h2-11,19,24H,12-18H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from guinea pig brain sigma 1 receptor after 180 mins by scintillation counting				J Med Chem 54: 6704-13 (2011) Article DOI: 10.1021/jm200585k BindingDB Entry DOI: 10.7270/Q22R3SN0
					More data for this Ligand-Target Pair

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