Compile Data Set for Download or QSAR

Found 517 hits with Last Name = 'diaz' and Initial = 'jl'   

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
Adenosine receptor A2a (Homo sapiens (Human))	BDBM26236 (CHEMBL487569 | N-[6-(3,5-dimethoxyphenyl)-2-(3,5-d...) Show SMILES COc1cc(OC)cc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C Show InChI InChI=1S/C19H21N5O3/c1-11-6-12(2)24(23-11)19-21-17(10-18(22-19)20-13(3)25)14-7-15(26-4)9-16(8-14)27-5/h6-10H,1-5H3,(H,20,21,22,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.190	-54.9	n/a	n/a	n/a	n/a	n/a	7.4	22
Neurocrine Bioscience					Assay Description The membranes prepared from HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in the pre...				J Med Chem 51: 7099-7110 (2008) Article DOI: 10.1021/jm800851u BindingDB Entry DOI: 10.7270/Q20R9MQG
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM26250 (N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(pyrrolid...) Show SMILES CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccc(n1)N1CCCC1 Show InChI InChI=1S/C20H23N7O/c1-13-11-14(2)27(25-13)20-23-17(12-18(24-20)21-15(3)28)16-7-6-8-19(22-16)26-9-4-5-10-26/h6-8,11-12H,4-5,9-10H2,1-3H3,(H,21,23,24,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.260	-54.2	n/a	n/a	n/a	n/a	n/a	7.4	22
Neurocrine Bioscience					Assay Description The membranes prepared from HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in the pre...				J Med Chem 51: 7099-7110 (2008) Article DOI: 10.1021/jm800851u BindingDB Entry DOI: 10.7270/Q20R9MQG
					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 für Pharmazeutische and Medizinische Chemie der Universität Müünster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane				J Med Chem 51: 6531-7 (2008) Article DOI: 10.1021/jm8007739 BindingDB Entry DOI: 10.7270/Q28S4PRP
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50252946 (1-Benzyl-6-methoxy-6,7-dihydrospiro[piperidine-4,4...) Show SMILES COC1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1 Show InChI InChI=1S/C19H23NO2S/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/h2-7,12,18H,8-11,13-14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Pharmazeutische and Medizinische Chemie der Universität Müünster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane				J Med Chem 51: 6531-7 (2008) Article DOI: 10.1021/jm8007739 BindingDB Entry DOI: 10.7270/Q28S4PRP
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM26256 (N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(4-methox...) Show SMILES COC1CCN(CC1)c1cccc(n1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C Show InChI InChI=1S/C22H27N7O2/c1-14-12-15(2)29(27-14)22-25-19(13-20(26-22)23-16(3)30)18-6-5-7-21(24-18)28-10-8-17(31-4)9-11-28/h5-7,12-13,17H,8-11H2,1-4H3,(H,23,25,26,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.440	-52.9	n/a	n/a	n/a	n/a	n/a	7.4	22
Neurocrine Bioscience					Assay Description The membranes prepared from HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in the pre...				J Med Chem 51: 7099-7110 (2008) Article DOI: 10.1021/jm800851u BindingDB Entry DOI: 10.7270/Q20R9MQG
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM26255 (N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(3-methox...) Show SMILES COC1CN(C1)c1cccc(n1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C Show InChI InChI=1S/C20H23N7O2/c1-12-8-13(2)27(25-12)20-23-17(9-18(24-20)21-14(3)28)16-6-5-7-19(22-16)26-10-15(11-26)29-4/h5-9,15H,10-11H2,1-4H3,(H,21,23,24,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.470	-52.7	n/a	n/a	n/a	n/a	n/a	7.4	22
Neurocrine Bioscience					Assay Description The membranes prepared from HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in the pre...				J Med Chem 51: 7099-7110 (2008) Article DOI: 10.1021/jm800851u BindingDB Entry DOI: 10.7270/Q20R9MQG
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM26251 (N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(piperidi...) Show SMILES CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccc(n1)N1CCCCC1 Show InChI InChI=1S/C21H25N7O/c1-14-12-15(2)28(26-14)21-24-18(13-19(25-21)22-16(3)29)17-8-7-9-20(23-17)27-10-5-4-6-11-27/h7-9,12-13H,4-6,10-11H2,1-3H3,(H,22,24,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.560	-52.3	n/a	n/a	n/a	n/a	n/a	7.4	22
Neurocrine Bioscience					Assay Description The membranes prepared from HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in the pre...				J Med Chem 51: 7099-7110 (2008) Article DOI: 10.1021/jm800851u BindingDB Entry DOI: 10.7270/Q20R9MQG
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM26235 (N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(2-fluoro-3-...) Show SMILES COc1cccc(c1F)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C Show InChI InChI=1S/C18H18FN5O2/c1-10-8-11(2)24(23-10)18-21-14(9-16(22-18)20-12(3)25)13-6-5-7-15(26-4)17(13)19/h5-9H,1-4H3,(H,20,21,22,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.600	-52.1	n/a	n/a	n/a	n/a	n/a	7.4	22
Neurocrine Bioscience					Assay Description The membranes prepared from HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in the pre...				J Med Chem 51: 7099-7110 (2008) Article DOI: 10.1021/jm800851u BindingDB Entry DOI: 10.7270/Q20R9MQG
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM26249 (N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(dimethyl...) Show SMILES CN(C)c1cccc(n1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C Show InChI InChI=1S/C18H21N7O/c1-11-9-12(2)25(23-11)18-21-15(10-16(22-18)19-13(3)26)14-7-6-8-17(20-14)24(4)5/h6-10H,1-5H3,(H,19,21,22,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.610	-52.1	n/a	n/a	n/a	n/a	n/a	7.4	22
Neurocrine Bioscience					Assay Description The membranes prepared from HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in the pre...				J Med Chem 51: 7099-7110 (2008) Article DOI: 10.1021/jm800851u BindingDB Entry DOI: 10.7270/Q20R9MQG
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50252759 (1-(4-Fluorobenzyl)-6-methoxy-6,7-dihydrospiro[pipe...) Show SMILES COC1Cc2sccc2C2(CCN(Cc3ccc(F)cc3)CC2)O1 Show InChI InChI=1S/C19H22FNO2S/c1-22-18-12-17-16(6-11-24-17)19(23-18)7-9-21(10-8-19)13-14-2-4-15(20)5-3-14/h2-6,11,18H,7-10,12-13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Pharmazeutische and Medizinische Chemie der Universität Müünster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane				J Med Chem 51: 6531-7 (2008) Article DOI: 10.1021/jm8007739 BindingDB Entry DOI: 10.7270/Q28S4PRP
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM26253 (N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(4-methyl...) Show SMILES CN1CCN(CC1)c1cccc(n1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C Show InChI InChI=1S/C21H26N8O/c1-14-12-15(2)29(26-14)21-24-18(13-19(25-21)22-16(3)30)17-6-5-7-20(23-17)28-10-8-27(4)9-11-28/h5-7,12-13H,8-11H2,1-4H3,(H,22,24,25,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.710	-51.7	n/a	n/a	n/a	n/a	n/a	7.4	22
Neurocrine Bioscience					Assay Description The membranes prepared from HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in the pre...				J Med Chem 51: 7099-7110 (2008) Article DOI: 10.1021/jm800851u BindingDB Entry DOI: 10.7270/Q20R9MQG
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM26254 (N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-{6-[(2-metho...) Show SMILES COCCN(C)c1cccc(n1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C Show InChI InChI=1S/C20H25N7O2/c1-13-11-14(2)27(25-13)20-23-17(12-18(24-20)21-15(3)28)16-7-6-8-19(22-16)26(4)9-10-29-5/h6-8,11-12H,9-10H2,1-5H3,(H,21,23,24,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.720	-51.7	n/a	n/a	n/a	n/a	n/a	7.4	22
Neurocrine Bioscience					Assay Description The membranes prepared from HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in the pre...				J Med Chem 51: 7099-7110 (2008) Article DOI: 10.1021/jm800851u BindingDB Entry DOI: 10.7270/Q20R9MQG
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM26247 (N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(morpholi...) Show SMILES CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccc(n1)N1CCOCC1 Show InChI InChI=1S/C20H23N7O2/c1-13-11-14(2)27(25-13)20-23-17(12-18(24-20)21-15(3)28)16-5-4-6-19(22-16)26-7-9-29-10-8-26/h4-6,11-12H,7-10H2,1-3H3,(H,21,23,24,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.830	-51.3	n/a	n/a	n/a	n/a	n/a	7.4	22
Neurocrine Bioscience					Assay Description The membranes prepared from HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in the pre...				J Med Chem 51: 7099-7110 (2008) Article DOI: 10.1021/jm800851u BindingDB Entry DOI: 10.7270/Q20R9MQG
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM26234 (CHEMBL486950 | N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)...) Show SMILES COc1cccc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C Show InChI InChI=1S/C18H19N5O2/c1-11-8-12(2)23(22-11)18-20-16(10-17(21-18)19-13(3)24)14-6-5-7-15(9-14)25-4/h5-10H,1-4H3,(H,19,20,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.920	-51.1	n/a	n/a	n/a	n/a	n/a	7.4	22
Neurocrine Bioscience					Assay Description The membranes prepared from HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in the pre...				J Med Chem 51: 7099-7110 (2008) Article DOI: 10.1021/jm800851u BindingDB Entry DOI: 10.7270/Q20R9MQG
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50252761 (6-Methoxy-1-(3-methylbut-2-enyl)-6,7-dihydrospiro[...) Show SMILES [#6]-[#8]-[#6]-1-[#6]-c2sccc2C2([#6]-[#6]-[#7](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6]2)[#8]-1 Show InChI InChI=1S/C17H25NO2S/c1-13(2)4-8-18-9-6-17(7-10-18)14-5-11-21-15(14)12-16(19-3)20-17/h4-5,11,16H,6-10,12H2,1-3H3	PDB UniProtKB/SwissProt 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
Institut für Pharmazeutische and Medizinische Chemie der Universität Müünster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane				J Med Chem 51: 6531-7 (2008) Article DOI: 10.1021/jm8007739 BindingDB Entry DOI: 10.7270/Q28S4PRP
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50252722 (6-Methoxy-1-(3-methylbutyl)-6,7-dihydrospiro[piper...) Show SMILES COC1Cc2sccc2C2(CCN(CCC(C)C)CC2)O1 Show InChI InChI=1S/C17H27NO2S/c1-13(2)4-8-18-9-6-17(7-10-18)14-5-11-21-15(14)12-16(19-3)20-17/h5,11,13,16H,4,6-10,12H2,1-3H3	PDB UniProtKB/SwissProt 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
Institut für Pharmazeutische and Medizinische Chemie der Universität Müünster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane				J Med Chem 51: 6531-7 (2008) Article DOI: 10.1021/jm8007739 BindingDB Entry DOI: 10.7270/Q28S4PRP
					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 für Pharmazeutische and Medizinische Chemie der Universität Müünster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane				J Med Chem 51: 6531-7 (2008) Article DOI: 10.1021/jm8007739 BindingDB Entry DOI: 10.7270/Q28S4PRP
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50252763 (6-Methoxy-1-pentyl-6,7-dihydrospiro[piperidine-4,4...) Show SMILES CCCCCN1CCC2(CC1)OC(Cc1sccc21)OC Show InChI InChI=1S/C17H27NO2S/c1-3-4-5-9-18-10-7-17(8-11-18)14-6-12-21-15(14)13-16(19-2)20-17/h6,12,16H,3-5,7-11,13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Pharmazeutische and Medizinische Chemie der Universität Müünster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane				J Med Chem 51: 6531-7 (2008) Article DOI: 10.1021/jm8007739 BindingDB Entry DOI: 10.7270/Q28S4PRP
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM26241 (N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(5-methoxypy...) Show SMILES CCC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cncc(OC)c1 Show InChI InChI=1S/C18H20N6O2/c1-5-17(25)21-16-8-15(13-7-14(26-4)10-19-9-13)20-18(22-16)24-12(3)6-11(2)23-24/h6-10H,5H2,1-4H3,(H,20,21,22,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.80	-49.4	n/a	n/a	n/a	n/a	n/a	7.4	22
Neurocrine Bioscience					Assay Description The membranes prepared from HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in the pre...				J Med Chem 51: 7099-7110 (2008) Article DOI: 10.1021/jm800851u BindingDB Entry DOI: 10.7270/Q20R9MQG
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM26257 (N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(4-hydrox...) Show SMILES CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccc(n1)N1CCC(O)CC1 Show InChI InChI=1S/C21H25N7O2/c1-13-11-14(2)28(26-13)21-24-18(12-19(25-21)22-15(3)29)17-5-4-6-20(23-17)27-9-7-16(30)8-10-27/h4-6,11-12,16,30H,7-10H2,1-3H3,(H,22,24,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.90	-49.3	n/a	n/a	n/a	n/a	n/a	7.4	22
Neurocrine Bioscience					Assay Description The membranes prepared from HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in the pre...				J Med Chem 51: 7099-7110 (2008) Article DOI: 10.1021/jm800851u BindingDB Entry DOI: 10.7270/Q20R9MQG
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50252760 (6'-methoxy-1-(thien-2-ylmethyl)-6',7'-dihydrospiro...) Show SMILES COC1Cc2sccc2C2(CCN(Cc3cccs3)CC2)O1 Show InChI InChI=1S/C17H21NO2S2/c1-19-16-11-15-14(4-10-22-15)17(20-16)5-7-18(8-6-17)12-13-3-2-9-21-13/h2-4,9-10,16H,5-8,11-12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Pharmazeutische and Medizinische Chemie der Universität Müünster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane				J Med Chem 51: 6531-7 (2008) Article DOI: 10.1021/jm8007739 BindingDB Entry DOI: 10.7270/Q28S4PRP
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50252758 (3'-methoxy-1-[(4-methoxyphenyl)methyl]-3',4'-dihyd...) Show SMILES COC1Cc2sccc2C2(CCN(Cc3ccc(OC)cc3)CC2)O1 Show InChI InChI=1S/C20H25NO3S/c1-22-16-5-3-15(4-6-16)14-21-10-8-20(9-11-21)17-7-12-25-18(17)13-19(23-2)24-20/h3-7,12,19H,8-11,13-14H2,1-2H3	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 für Pharmazeutische and Medizinische Chemie der Universität Müünster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane				J Med Chem 51: 6531-7 (2008) Article DOI: 10.1021/jm8007739 BindingDB Entry DOI: 10.7270/Q28S4PRP
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM26252 (N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(1,4-oxaz...) Show SMILES CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccc(n1)N1CCCOCC1 Show InChI InChI=1S/C21H25N7O2/c1-14-12-15(2)28(26-14)21-24-18(13-19(25-21)22-16(3)29)17-6-4-7-20(23-17)27-8-5-10-30-11-9-27/h4,6-7,12-13H,5,8-11H2,1-3H3,(H,22,24,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.30	-48.8	n/a	n/a	n/a	n/a	n/a	7.4	22
Neurocrine Bioscience					Assay Description The membranes prepared from HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in the pre...				J Med Chem 51: 7099-7110 (2008) Article DOI: 10.1021/jm800851u BindingDB Entry DOI: 10.7270/Q20R9MQG
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM26237 (CHEMBL458242 | N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)...) Show SMILES COc1cncc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C Show InChI InChI=1S/C17H18N6O2/c1-10-5-11(2)23(22-10)17-20-15(7-16(21-17)19-12(3)24)13-6-14(25-4)9-18-8-13/h5-9H,1-4H3,(H,19,20,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30	-48.8	n/a	n/a	n/a	n/a	n/a	7.4	22
Neurocrine Bioscience					Assay Description The membranes prepared from HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in the pre...				J Med Chem 51: 7099-7110 (2008) Article DOI: 10.1021/jm800851u BindingDB Entry DOI: 10.7270/Q20R9MQG
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50252724 (3-Methoxy-1-(3-phenylpropyl)-6,7-dihydrospiro[pipe...) Show SMILES COC1Cc2sccc2C2(CCN(CCCc3ccccc3)CC2)O1 Show InChI InChI=1S/C21H27NO2S/c1-23-20-16-19-18(9-15-25-19)21(24-20)10-13-22(14-11-21)12-5-8-17-6-3-2-4-7-17/h2-4,6-7,9,15,20H,5,8,10-14,16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Pharmazeutische and Medizinische Chemie der Universität Müünster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane				J Med Chem 51: 6531-7 (2008) Article DOI: 10.1021/jm8007739 BindingDB Entry DOI: 10.7270/Q28S4PRP
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM26238 (N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(5-hydroxypy...) Show SMILES CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cncc(O)c1 Show InChI InChI=1S/C16H16N6O2/c1-9-4-10(2)22(21-9)16-19-14(6-15(20-16)18-11(3)23)12-5-13(24)8-17-7-12/h4-8,24H,1-3H3,(H,18,19,20,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.90	-48.2	n/a	n/a	n/a	n/a	n/a	7.4	22
Neurocrine Bioscience					Assay Description The membranes prepared from HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in the pre...				J Med Chem 51: 7099-7110 (2008) Article DOI: 10.1021/jm800851u BindingDB Entry DOI: 10.7270/Q20R9MQG
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM26245 (N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[5-(morpholi...) Show SMILES CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cncc(c1)N1CCOCC1 Show InChI InChI=1S/C20H23N7O2/c1-13-8-14(2)27(25-13)20-23-18(10-19(24-20)22-15(3)28)16-9-17(12-21-11-16)26-4-6-29-7-5-26/h8-12H,4-7H2,1-3H3,(H,22,23,24,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	3	-48.2	n/a	n/a	n/a	n/a	n/a	7.4	22
Neurocrine Bioscience					Assay Description The membranes prepared from HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in the pre...				J Med Chem 51: 7099-7110 (2008) Article DOI: 10.1021/jm800851u BindingDB Entry DOI: 10.7270/Q20R9MQG
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM26239 (N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[5-(2-methox...) Show SMILES COCCOc1cncc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C Show InChI InChI=1S/C19H22N6O3/c1-12-7-13(2)25(24-12)19-22-17(9-18(23-19)21-14(3)26)15-8-16(11-20-10-15)28-6-5-27-4/h7-11H,5-6H2,1-4H3,(H,21,22,23,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.10	-48.1	n/a	n/a	n/a	n/a	n/a	7.4	22
Neurocrine Bioscience					Assay Description The membranes prepared from HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in the pre...				J Med Chem 51: 7099-7110 (2008) Article DOI: 10.1021/jm800851u BindingDB Entry DOI: 10.7270/Q20R9MQG
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Pharmazeutische and Medizinische Chemie der Universität Müünster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane				J Med Chem 51: 6531-7 (2008) Article DOI: 10.1021/jm8007739 BindingDB Entry DOI: 10.7270/Q28S4PRP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A2a (Homo sapiens (Human))	BDBM26240 (N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(5-methoxypy...) Show SMILES COc1cncc(c1)-c1cc(NC(=O)CN2CCOCC2)nc(n1)-n1nc(C)cc1C Show InChI InChI=1S/C21H25N7O3/c1-14-8-15(2)28(26-14)21-23-18(16-9-17(30-3)12-22-11-16)10-19(25-21)24-20(29)13-27-4-6-31-7-5-27/h8-12H,4-7,13H2,1-3H3,(H,23,24,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4	-47.5	n/a	n/a	n/a	n/a	n/a	7.4	22
Neurocrine Bioscience					Assay Description The membranes prepared from HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in the pre...				J Med Chem 51: 7099-7110 (2008) Article DOI: 10.1021/jm800851u BindingDB Entry DOI: 10.7270/Q20R9MQG
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50252762 (1-Butyl-6-methoxy-6,7-dihydrospiro[piperidine-4,4-...) Show SMILES CCCCN1CCC2(CC1)OC(Cc1sccc21)OC Show InChI InChI=1S/C16H25NO2S/c1-3-4-8-17-9-6-16(7-10-17)13-5-11-20-14(13)12-15(18-2)19-16/h5,11,15H,3-4,6-10,12H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Pharmazeutische and Medizinische Chemie der Universität Müünster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane				J Med Chem 51: 6531-7 (2008) Article DOI: 10.1021/jm8007739 BindingDB Entry DOI: 10.7270/Q28S4PRP
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50252948 (6-Methoxy-1-octyl-6,7-dihydrospiro[piperidine-4,4-...) Show SMILES CCCCCCCCN1CCC2(CC1)OC(Cc1sccc21)OC Show InChI InChI=1S/C20H33NO2S/c1-3-4-5-6-7-8-12-21-13-10-20(11-14-21)17-9-15-24-18(17)16-19(22-2)23-20/h9,15,19H,3-8,10-14,16H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Pharmazeutische and Medizinische Chemie der Universität Müünster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane				J Med Chem 51: 6531-7 (2008) Article DOI: 10.1021/jm8007739 BindingDB Entry DOI: 10.7270/Q28S4PRP
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50252947 (6-Methoxy-1-(2-phenylethyl)-6,7-dihydrospiro[piper...) Show SMILES COC1Cc2sccc2C2(CCN(CCc3ccccc3)CC2)O1 Show InChI InChI=1S/C20H25NO2S/c1-22-19-15-18-17(8-14-24-18)20(23-19)9-12-21(13-10-20)11-7-16-5-3-2-4-6-16/h2-6,8,14,19H,7,9-13,15H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Pharmazeutische and Medizinische Chemie der Universität Müünster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane				J Med Chem 51: 6531-7 (2008) Article DOI: 10.1021/jm8007739 BindingDB Entry DOI: 10.7270/Q28S4PRP
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM287137 (1-(1-(2-(azepan- 1-yl)ethyl)-1H- pyrazolo[3,4- d]p...) Show SMILES CCCNC(=S)Nc1ncnc2n(CCN3CCCCCC3)ncc12 Show InChI InChI=1S/C17H27N7S/c1-2-7-18-17(25)22-15-14-12-21-24(16(14)20-13-19-15)11-10-23-8-5-3-4-6-9-23/h12-13H,2-11H2,1H3,(H2,18,19,20,22,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.70	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
LABORATORIOS DEL DR. ESTEVE S.A. US Patent					Assay Description Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...				US Patent US9567338 (2017) BindingDB Entry DOI: 10.7270/Q2ST7RV0
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50133876 ((S)-3-{(S)-3-Methyl-2-[2-(naphthalen-1-yloxy)-acet...) Show SMILES CC(C)[C@H](NC(=O)COc1cccc2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)COc1cccc2ccccc12 Show InChI InChI=1S/C32H32N2O7/c1-20(2)31(34-29(36)19-41-28-16-8-12-22-10-4-6-14-24(22)28)32(39)33-25(17-30(37)38)26(35)18-40-27-15-7-11-21-9-3-5-13-23(21)27/h3-16,20,25,31H,17-19H2,1-2H3,(H,33,39)(H,34,36)(H,37,38)/t25-,31-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Idun Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity of the compound was tested against caspase-3 (Csp-3)				Bioorg Med Chem Lett 13: 3623-6 (2003) BindingDB Entry DOI: 10.7270/Q21835WJ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM26250 (N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(pyrrolid...) Show SMILES CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccc(n1)N1CCCC1 Show InChI InChI=1S/C20H23N7O/c1-13-11-14(2)27(25-13)20-23-17(12-18(24-20)21-15(3)28)16-7-6-8-19(22-16)26-9-4-5-10-26/h6-8,11-12H,4-5,9-10H2,1-3H3,(H,21,23,24,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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
Neurocrine Bioscience					Assay Description The membranes prepared from HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in the pre...				J Med Chem 51: 7099-7110 (2008) Article DOI: 10.1021/jm800851u BindingDB Entry DOI: 10.7270/Q20R9MQG
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM26242 (methyl N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(5-me...) Show SMILES COC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cncc(OC)c1 Show InChI InChI=1S/C17H18N6O3/c1-10-5-11(2)23(22-10)16-19-14(7-15(20-16)21-17(24)26-4)12-6-13(25-3)9-18-8-12/h5-9H,1-4H3,(H,19,20,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.40	-45.9	n/a	n/a	n/a	n/a	n/a	7.4	22
Neurocrine Bioscience					Assay Description The membranes prepared from HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in the pre...				J Med Chem 51: 7099-7110 (2008) Article DOI: 10.1021/jm800851u BindingDB Entry DOI: 10.7270/Q20R9MQG
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50252725 (3-Methoxy-1-(4-phenylbutyl)-6,7-dihydrospiro[piper...) Show SMILES COC1Cc2sccc2C2(CCN(CCCCc3ccccc3)CC2)O1 Show InChI InChI=1S/C22H29NO2S/c1-24-21-17-20-19(10-16-26-20)22(25-21)11-14-23(15-12-22)13-6-5-9-18-7-3-2-4-8-18/h2-4,7-8,10,16,21H,5-6,9,11-15,17H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Pharmazeutische and Medizinische Chemie der Universität Müünster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane				J Med Chem 51: 6531-7 (2008) Article DOI: 10.1021/jm8007739 BindingDB Entry DOI: 10.7270/Q28S4PRP
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM26243 (ethyl N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(5-met...) Show SMILES CCOC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cncc(OC)c1 Show InChI InChI=1S/C18H20N6O3/c1-5-27-18(25)22-16-8-15(13-7-14(26-4)10-19-9-13)20-17(21-16)24-12(3)6-11(2)23-24/h6-10H,5H2,1-4H3,(H,20,21,22,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.80	-45.8	n/a	n/a	n/a	n/a	n/a	7.4	22
Neurocrine Bioscience					Assay Description The membranes prepared from HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in the pre...				J Med Chem 51: 7099-7110 (2008) Article DOI: 10.1021/jm800851u BindingDB Entry DOI: 10.7270/Q20R9MQG
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM26248 (N-[6-(6-aminopyridin-2-yl)-2-(3,5-dimethyl-1H-pyra...) Show SMILES CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccc(N)n1 Show InChI InChI=1S/C16H17N7O/c1-9-7-10(2)23(22-9)16-20-13(8-15(21-16)18-11(3)24)12-5-4-6-14(17)19-12/h4-8H,1-3H3,(H2,17,19)(H,18,20,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	7.90	-45.8	n/a	n/a	n/a	n/a	n/a	7.4	22
Neurocrine Bioscience					Assay Description The membranes prepared from HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in the pre...				J Med Chem 51: 7099-7110 (2008) Article DOI: 10.1021/jm800851u BindingDB Entry DOI: 10.7270/Q20R9MQG
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM287138 (1-(1-(2-(azepan- 1-yl)ethyl)-1H- pyrazolo[3,4- d]p...) Show SMILES CCNC(=S)Nc1ncnc2n(CCN3CCCCCC3)ncc12 Show InChI InChI=1S/C16H25N7S/c1-2-17-16(24)21-14-13-11-20-23(15(13)19-12-18-14)10-9-22-7-5-3-4-6-8-22/h11-12H,2-10H2,1H3,(H2,17,18,19,21,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	9.20	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
LABORATORIOS DEL DR. ESTEVE S.A. US Patent					Assay Description Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...				US Patent US9567338 (2017) BindingDB Entry DOI: 10.7270/Q2ST7RV0
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM287087 (N-(1-(2-(azepan-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyri...) Show SMILES CC(C)(C)C(=O)Nc1ncnc2n(CCN3CCCCCC3)ncc12 Show InChI InChI=1S/C18H28N6O/c1-18(2,3)17(25)22-15-14-12-21-24(16(14)20-13-19-15)11-10-23-8-6-4-5-7-9-23/h12-13H,4-11H2,1-3H3,(H,19,20,22,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	9.20	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
LABORATORIOS DEL DR. ESTEVE S.A. US Patent					Assay Description Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...				US Patent US9567338 (2017) BindingDB Entry DOI: 10.7270/Q2ST7RV0
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM287101 (N-(1-(2-(Azepan-1- yl)ethyl)-1H-pyrazolo[3,4- d]py...) Show SMILES O=C(Nc1ncnc2n(CCN3CCCCCC3)ncc12)C12CC3CC(CC(C3)C1)C2 |TLB:28:27:30:24.23.22,THB:26:27:30.25.24:22| Show InChI InChI=1S/C24H34N6O/c31-23(24-12-17-9-18(13-24)11-19(10-17)14-24)28-21-20-15-27-30(22(20)26-16-25-21)8-7-29-5-3-1-2-4-6-29/h15-19H,1-14H2,(H,25,26,28,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	9.40	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
LABORATORIOS DEL DR. ESTEVE S.A. US Patent					Assay Description Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...				US Patent US9567338 (2017) BindingDB Entry DOI: 10.7270/Q2ST7RV0
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM287111 (N-(1-(2-(azepan-1- yl)ethyl)-1H-pyrazolo[3,4- d]py...) Show SMILES CC1(C)C(C(=O)Nc2ncnc3n(CCN4CCCCCC4)ncc23)C1(C)C Show InChI InChI=1S/C21H32N6O/c1-20(2)16(21(20,3)4)19(28)25-17-15-13-24-27(18(15)23-14-22-17)12-11-26-9-7-5-6-8-10-26/h13-14,16H,5-12H2,1-4H3,(H,22,23,25,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	11.1	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
LABORATORIOS DEL DR. ESTEVE S.A. US Patent					Assay Description Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...				US Patent US9567338 (2017) BindingDB Entry DOI: 10.7270/Q2ST7RV0
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM26246 (N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[2-(morpholi...) Show SMILES CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1ccnc(c1)N1CCOCC1 Show InChI InChI=1S/C20H23N7O2/c1-13-10-14(2)27(25-13)20-23-17(12-18(24-20)22-15(3)28)16-4-5-21-19(11-16)26-6-8-29-9-7-26/h4-5,10-12H,6-9H2,1-3H3,(H,22,23,24,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	12	-44.8	n/a	n/a	n/a	n/a	n/a	7.4	22
Neurocrine Bioscience					Assay Description The membranes prepared from HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in the pre...				J Med Chem 51: 7099-7110 (2008) Article DOI: 10.1021/jm800851u BindingDB Entry DOI: 10.7270/Q20R9MQG
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM287140 (N-(1-(2-(4-tert- butylpiperidin-1-yl)ethyl)- 1H-py...) Show SMILES CC(C)(C)C1CCN(CCn2ncc3c(NC(=O)C(C)(C)C)ncnc23)CC1 Show InChI InChI=1S/C21H34N6O/c1-20(2,3)15-7-9-26(10-8-15)11-12-27-18-16(13-24-27)17(22-14-23-18)25-19(28)21(4,5)6/h13-15H,7-12H2,1-6H3,(H,22,23,25,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	12.2	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
LABORATORIOS DEL DR. ESTEVE S.A. US Patent					Assay Description Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...				US Patent US9567338 (2017) BindingDB Entry DOI: 10.7270/Q2ST7RV0
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM287088 (N-(1-[2-(Piperidin-1- yl)ethyl]-1H-pyrazolo[3,4- d...) Show SMILES O=C(Nc1ncnc2n(CCN3CCCCC3)ncc12)C12CC3CC(CC(C3)C1)C2 |TLB:27:26:21.22.23:29,THB:25:26:21:23.24.29| Show InChI InChI=1S/C23H32N6O/c30-22(23-11-16-8-17(12-23)10-18(9-16)13-23)27-20-19-14-26-29(21(19)25-15-24-20)7-6-28-4-2-1-3-5-28/h14-18H,1-13H2,(H,24,25,27,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	12.7	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
LABORATORIOS DEL DR. ESTEVE S.A. US Patent					Assay Description Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...				US Patent US9567338 (2017) BindingDB Entry DOI: 10.7270/Q2ST7RV0
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM287135 (1-(1-(2-(azepan-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyri...) Show SMILES CCCCNC(=S)Nc1ncnc2n(CCN3CCCCCC3)ncc12 Show InChI InChI=1S/C18H29N7S/c1-2-3-8-19-18(26)23-16-15-13-22-25(17(15)21-14-20-16)12-11-24-9-6-4-5-7-10-24/h13-14H,2-12H2,1H3,(H2,19,20,21,23,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	12.8	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
LABORATORIOS DEL DR. ESTEVE S.A. US Patent					Assay Description Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...				US Patent US9567338 (2017) BindingDB Entry DOI: 10.7270/Q2ST7RV0
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM287097 (N-(1-(2-(Azepan-1- yl)ethyl)-1H-pyrazolo[3,4- d]py...) Show SMILES O=C(Nc1ncnc2n(CCN3CCCCCC3)ncc12)C1CCCCC1 Show InChI InChI=1S/C20H30N6O/c27-20(16-8-4-3-5-9-16)24-18-17-14-23-26(19(17)22-15-21-18)13-12-25-10-6-1-2-7-11-25/h14-16H,1-13H2,(H,21,22,24,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	13.1	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
LABORATORIOS DEL DR. ESTEVE S.A. US Patent					Assay Description Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...				US Patent US9567338 (2017) BindingDB Entry DOI: 10.7270/Q2ST7RV0
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM287136 (1-(1-(2-(azepan- 1-yl)ethyl)-1H- pyrazolo[3,4- d]p...) Show SMILES CNC(=S)Nc1ncnc2n(CCN3CCCCCC3)ncc12 Show InChI InChI=1S/C15H23N7S/c1-16-15(23)20-13-12-10-19-22(14(12)18-11-17-13)9-8-21-6-4-2-3-5-7-21/h10-11H,2-9H2,1H3,(H2,16,17,18,20,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	14.9	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
LABORATORIOS DEL DR. ESTEVE S.A. US Patent					Assay Description Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...				US Patent US9567338 (2017) BindingDB Entry DOI: 10.7270/Q2ST7RV0
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 517 total )  |  Next  |  Last  >>

Jump to: