Compile Data Set for Download or QSAR

Found 2527 hits with Last Name = 'cook' and Initial = 'l'   

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
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50240434 (2-[1-(6-Amino-purin-9-yl)-2-oxo-ethoxy]-propenal |...) Show SMILES Nc1ncnc2n(cnc12)C(OC(=C)C=O)C=O Show InChI InChI=1S/C10H9N5O3/c1-6(2-16)18-7(3-17)15-5-14-8-9(11)12-4-13-10(8)15/h2-5,7H,1H2,(H2,11,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibition of S-adenosyl homocysteine (SAH) hydrolase .				Bioorg Med Chem Lett 6: 1381-1386 (1996) Article DOI: 10.1016/0960-894X(96)00234-X BindingDB Entry DOI: 10.7270/Q29P31NC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM28586 (1-{3-[(3-chlorophenyl)methoxy]-2-methylphenyl}pipe...) Show SMILES Cc1c(OCc2cccc(Cl)c2)cccc1N1CCNCC1 Show InChI InChI=1S/C18H21ClN2O/c1-14-17(21-10-8-20-9-11-21)6-3-7-18(14)22-13-15-4-2-5-16(19)12-15/h2-7,12,20H,8-11,13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt 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	7.5	22
Pfizer					Assay Description Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo...				Bioorg Med Chem Lett 19: 2409-12 (2009) Article DOI: 10.1016/j.bmcl.2009.03.077 BindingDB Entry DOI: 10.7270/Q24T6GP5
					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	0.660	-51.9	n/a	n/a	n/a	n/a	n/a	7.5	22
Pfizer					Assay Description Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo...				Bioorg Med Chem Lett 19: 2409-12 (2009) Article DOI: 10.1016/j.bmcl.2009.03.077 BindingDB Entry DOI: 10.7270/Q24T6GP5
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50002254 (2-(1-Benzyl-piperidin-4-yl)-1-(4-fluoro-phenyl)-et...) Show SMILES Fc1ccc(cc1)C(=O)CC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C20H22FNO/c21-19-8-6-18(7-9-19)20(23)14-16-10-12-22(13-11-16)15-17-4-2-1-3-5-17/h1-9,16H,10-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for the mouse sigma opioid receptor				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM28584 (1-[3-(benzyloxy)-2-methylphenyl]piperazine | tolyl...) Show SMILES Cc1c(OCc2ccccc2)cccc1N1CCNCC1 Show InChI InChI=1S/C18H22N2O/c1-15-17(20-12-10-19-11-13-20)8-5-9-18(15)21-14-16-6-3-2-4-7-16/h2-9,19H,10-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.30	-50.2	n/a	n/a	n/a	n/a	n/a	7.5	22
Pfizer					Assay Description Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo...				Bioorg Med Chem Lett 19: 2409-12 (2009) Article DOI: 10.1016/j.bmcl.2009.03.077 BindingDB Entry DOI: 10.7270/Q24T6GP5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM28635 (2-methyl-3-(piperidin-4-yl)phenyl naphthalene-1-su...) Show SMILES Cc1c(OS(=O)(=O)c2cccc3ccccc23)cccc1C1CCNCC1 Show InChI InChI=1S/C22H23NO3S/c1-16-19(18-12-14-23-15-13-18)9-5-10-21(16)26-27(24,25)22-11-4-7-17-6-2-3-8-20(17)22/h2-11,18,23H,12-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.5	-50.4	n/a	n/a	n/a	n/a	n/a	n/a	25
Pfizer					Assay Description Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo...				Bioorg Med Chem Lett 19: 2409-12 (2009) Article DOI: 10.1016/j.bmcl.2009.03.077 BindingDB Entry DOI: 10.7270/Q24T6GP5
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50002275 (1-Benzyl-4-(3-phenyl-propoxy)-piperidine; compound...) Show SMILES C(COC1CCN(Cc2ccccc2)CC1)Cc1ccccc1 Show InChI InChI=1S/C21H27NO/c1-3-8-19(9-4-1)12-7-17-23-21-13-15-22(16-14-21)18-20-10-5-2-6-11-20/h1-6,8-11,21H,7,12-18H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for the mouse sigma opioid receptor				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50002303 (1-Cyclopropylmethyl-4-(3,4-difluoro-phenoxymethyl)...) Show SMILES Fc1ccc(OCC2CCN(CC3CC3)CC2)cc1F Show InChI InChI=1S/C16H21F2NO/c17-15-4-3-14(9-16(15)18)20-11-13-5-7-19(8-6-13)10-12-1-2-12/h3-4,9,12-13H,1-2,5-8,10-11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for the mouse sigma opioid receptor				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50002207 (1-Cyclopropylmethyl-4-(4-fluoro-phenoxymethyl)-pip...) Show SMILES Fc1ccc(OCC2CCN(CC3CC3)CC2)cc1 Show InChI InChI=1S/C16H22FNO/c17-15-3-5-16(6-4-15)19-12-14-7-9-18(10-8-14)11-13-1-2-13/h3-6,13-14H,1-2,7-12H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for the mouse sigma opioid receptor				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50002292 (4-[4-(4-Fluoro-benzyloxymethyl)-piperidin-1-ylmeth...) Show SMILES Fc1ccc(COCC2CCN(Cc3ccncc3)CC2)cc1 Show InChI InChI=1S/C19H23FN2O/c20-19-3-1-17(2-4-19)14-23-15-18-7-11-22(12-8-18)13-16-5-9-21-10-6-16/h1-6,9-10,18H,7-8,11-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for the mouse sigma opioid receptor				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50002209 (1-(2,2-Dichloro-1-methyl-cyclopropylmethyl)-4-(4-f...) Show SMILES CC1(CN2CCC(COc3ccc(F)cc3)CC2)CC1(Cl)Cl Show InChI InChI=1S/C17H22Cl2FNO/c1-16(11-17(16,18)19)12-21-8-6-13(7-9-21)10-22-15-4-2-14(20)3-5-15/h2-5,13H,6-12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for the mouse sigma opioid receptor				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50002235 (1-Benzyl-4-(4-trifluoromethyl-phenoxymethyl)-piper...) Show SMILES FC(F)(F)c1ccc(OCC2CCN(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C20H22F3NO/c21-20(22,23)18-6-8-19(9-7-18)25-15-17-10-12-24(13-11-17)14-16-4-2-1-3-5-16/h1-9,17H,10-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for the mouse sigma opioid receptor				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50002232 (1-Benzyl-4-(4-phenyl-butoxymethyl)-piperidine; hyd...) Show SMILES C(CCc1ccccc1)COCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C23H31NO/c1-3-9-21(10-4-1)11-7-8-18-25-20-23-14-16-24(17-15-23)19-22-12-5-2-6-13-22/h1-6,9-10,12-13,23H,7-8,11,14-20H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for the mouse sigma opioid receptor				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50002219 (1-Benzyl-4-cyclopropoxymethyl-piperidine; compound...) Show SMILES C(OC1CC1)C1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C16H23NO/c1-2-4-14(5-3-1)12-17-10-8-15(9-11-17)13-18-16-6-7-16/h1-5,15-16H,6-13H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for the mouse sigma opioid receptor				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50002252 (1-Benzyl-4-(4-fluoro-phenoxymethyl)-piperidine; hy...) Show SMILES Fc1ccc(OCC2CCN(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C19H22FNO/c20-18-6-8-19(9-7-18)22-15-17-10-12-21(13-11-17)14-16-4-2-1-3-5-16/h1-9,17H,10-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for the mouse sigma opioid receptor				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50002241 (1-(4-Chloro-benzyl)-4-(4-fluoro-benzyloxymethyl)-p...) Show SMILES Fc1ccc(COCC2CCN(Cc3ccc(Cl)cc3)CC2)cc1 Show InChI InChI=1S/C20H23ClFNO/c21-19-5-1-16(2-6-19)13-23-11-9-18(10-12-23)15-24-14-17-3-7-20(22)8-4-17/h1-8,18H,9-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for the mouse sigma opioid receptor				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50002190 (1-Benzyl-4-(4-fluoro-benzyloxymethyl)-piperidine; ...) Show SMILES Fc1ccc(COCC2CCN(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C20H24FNO/c21-20-8-6-18(7-9-20)15-23-16-19-10-12-22(13-11-19)14-17-4-2-1-3-5-17/h1-9,19H,10-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for the mouse sigma opioid receptor				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50002229 (1-Benzyl-4-cyclohexyloxymethyl-piperidine; hydroch...) Show SMILES C(OC1CCCCC1)C1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C19H29NO/c1-3-7-17(8-4-1)15-20-13-11-18(12-14-20)16-21-19-9-5-2-6-10-19/h1,3-4,7-8,18-19H,2,5-6,9-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for the mouse sigma opioid receptor				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM28620 (2-[1-(3-chlorophenyl)-2,2,2-trifluoroethoxy]-3-met...) Show SMILES Cc1c(OC(c2cccc(Cl)c2)C(F)(F)F)nccc1C1CCNCC1 Show InChI InChI=1S/C19H20ClF3N2O/c1-12-16(13-5-8-24-9-6-13)7-10-25-18(12)26-17(19(21,22)23)14-3-2-4-15(20)11-14/h2-4,7,10-11,13,17,24H,5-6,8-9H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.40	-49.2	n/a	n/a	n/a	n/a	n/a	n/a	25
Pfizer					Assay Description Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo...				Bioorg Med Chem Lett 19: 2409-12 (2009) Article DOI: 10.1016/j.bmcl.2009.03.077 BindingDB Entry DOI: 10.7270/Q24T6GP5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM28594 (4-{3-[(3-fluorophenyl)methoxy]-2-methylphenyl}pipe...) Show SMILES Cc1c(OCc2cccc(F)c2)cccc1C1CCNCC1 Show InChI InChI=1S/C19H22FNO/c1-14-18(16-8-10-21-11-9-16)6-3-7-19(14)22-13-15-4-2-5-17(20)12-15/h2-7,12,16,21H,8-11,13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.5	-48.6	n/a	n/a	n/a	n/a	n/a	7.5	22
Pfizer					Assay Description Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo...				Bioorg Med Chem Lett 19: 2409-12 (2009) Article DOI: 10.1016/j.bmcl.2009.03.077 BindingDB Entry DOI: 10.7270/Q24T6GP5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM28636 (2-methyl-3-(piperidin-4-yl)phenyl naphthalene-2-su...) Show SMILES Cc1c(OS(=O)(=O)c2ccc3ccccc3c2)cccc1C1CCNCC1 Show InChI InChI=1S/C22H23NO3S/c1-16-21(18-11-13-23-14-12-18)7-4-8-22(16)26-27(24,25)20-10-9-17-5-2-3-6-19(17)15-20/h2-10,15,18,23H,11-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.70	-48.9	n/a	n/a	n/a	n/a	n/a	n/a	25
Pfizer					Assay Description Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo...				Bioorg Med Chem Lett 19: 2409-12 (2009) Article DOI: 10.1016/j.bmcl.2009.03.077 BindingDB Entry DOI: 10.7270/Q24T6GP5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM28603 (4-{3-[(1S)-1-(3-chlorophenyl)ethoxy]-2-methylpheny...) Show SMILES C[C@H](Oc1cccc(C2CCNCC2)c1C)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C20H24ClNO/c1-14-19(16-9-11-22-12-10-16)7-4-8-20(14)23-15(2)17-5-3-6-18(21)13-17/h3-8,13,15-16,22H,9-12H2,1-2H3/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.80	-48.3	n/a	n/a	n/a	n/a	n/a	7.5	22
Pfizer					Assay Description Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo...				Bioorg Med Chem Lett 19: 2409-12 (2009) Article DOI: 10.1016/j.bmcl.2009.03.077 BindingDB Entry DOI: 10.7270/Q24T6GP5
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50002280 (1-(1-Benzyl-piperidin-4-yl)-2-(4-fluoro-phenyl)-et...) Show SMILES Fc1ccc(CC(=O)C2CCN(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C20H22FNO/c21-19-8-6-16(7-9-19)14-20(23)18-10-12-22(13-11-18)15-17-4-2-1-3-5-17/h1-9,18H,10-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for the mouse sigma opioid receptor				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50002250 (1-(4-Fluoro-phenyl)-2-[1-(4-trifluoromethyl-benzyl...) Show SMILES Fc1ccc(cc1)C(=O)CC1CCN(Cc2ccc(cc2)C(F)(F)F)CC1 Show InChI InChI=1S/C21H21F4NO/c22-19-7-3-17(4-8-19)20(27)13-15-9-11-26(12-10-15)14-16-1-5-18(6-2-16)21(23,24)25/h1-8,15H,9-14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for the mouse sigma opioid receptor				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50002187 (1-(1-Benzyl-piperidin-4-yl)-2-(4-fluoro-phenyl)-et...) Show SMILES OC(Cc1ccc(F)cc1)C1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C20H24FNO/c21-19-8-6-16(7-9-19)14-20(23)18-10-12-22(13-11-18)15-17-4-2-1-3-5-17/h1-9,18,20,23H,10-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for the mouse sigma opioid receptor				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50002272 (1-(2-Cyclopropyl-ethyl)-4-(4-fluoro-phenoxymethyl)...) Show SMILES Fc1ccc(OCC2CCN(CCC3CC3)CC2)cc1 Show InChI InChI=1S/C17H24FNO/c18-16-3-5-17(6-4-16)20-13-15-8-11-19(12-9-15)10-7-14-1-2-14/h3-6,14-15H,1-2,7-13H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for the mouse sigma opioid receptor				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50002284 (1-Benzyl-4-(4-methoxy-phenoxymethyl)-piperidine | ...) Show SMILES COc1ccc(OCC2CCN(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C20H25NO2/c1-22-19-7-9-20(10-8-19)23-16-18-11-13-21(14-12-18)15-17-5-3-2-4-6-17/h2-10,18H,11-16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for the mouse sigma opioid receptor				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50002263 (1-Cyclohexylmethyl-4-(4-fluoro-benzyloxymethyl)-pi...) Show SMILES Fc1ccc(COCC2CCN(CC3CCCCC3)CC2)cc1 Show InChI InChI=1S/C20H30FNO/c21-20-8-6-18(7-9-20)15-23-16-19-10-12-22(13-11-19)14-17-4-2-1-3-5-17/h6-9,17,19H,1-5,10-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for the mouse sigma opioid receptor				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50002197 (1-(1-Benzyl-piperidin-4-yl)-3-(4-fluoro-phenyl)-pr...) Show SMILES Fc1ccc(CC(=O)CC2CCN(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C21H24FNO/c22-20-8-6-17(7-9-20)14-21(24)15-18-10-12-23(13-11-18)16-19-4-2-1-3-5-19/h1-9,18H,10-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for the mouse sigma opioid receptor				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50002217 (2-[1-(4-Fluoro-benzyl)-piperidin-4-yl]-1-(4-fluoro...) Show SMILES Fc1ccc(CN2CCC(CC(=O)c3ccc(F)cc3)CC2)cc1 Show InChI InChI=1S/C20H21F2NO/c21-18-5-1-16(2-6-18)14-23-11-9-15(10-12-23)13-20(24)17-3-7-19(22)8-4-17/h1-8,15H,9-14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for the mouse sigma opioid receptor				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50002268 (1-Benzyl-4-(3-phenyl-propoxymethyl)-piperidine; co...) Show SMILES C(COCC1CCN(Cc2ccccc2)CC1)Cc1ccccc1 Show InChI InChI=1S/C22H29NO/c1-3-8-20(9-4-1)12-7-17-24-19-22-13-15-23(16-14-22)18-21-10-5-2-6-11-21/h1-6,8-11,22H,7,12-19H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for the mouse sigma opioid receptor				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM28595 (4-{3-[(3-chlorophenyl)methoxy]-2-methylphenyl}pipe...) Show SMILES Cc1c(OCc2cccc(Cl)c2)cccc1C1CCNCC1 Show InChI InChI=1S/C19H22ClNO/c1-14-18(16-8-10-21-11-9-16)6-3-7-19(14)22-13-15-4-2-5-17(20)12-15/h2-7,12,16,21H,8-11,13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.30	-47.9	n/a	n/a	n/a	n/a	n/a	7.5	22
Pfizer					Assay Description Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo...				Bioorg Med Chem Lett 19: 2409-12 (2009) Article DOI: 10.1016/j.bmcl.2009.03.077 BindingDB Entry DOI: 10.7270/Q24T6GP5
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50029130 (Adenosine dialdehyde | CHEMBL165876) Show SMILES Nc1ncnc2n(cnc12)[C@H](O[C@H](CO)C=O)C=O Show InChI InChI=1S/C10H11N5O4/c11-9-8-10(13-4-12-9)15(5-14-8)7(3-18)19-6(1-16)2-17/h1,3-7,17H,2H2,(H2,11,12,13)/t6-,7+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibition of S-adenosyl homocysteine (SAH) hydrolase .				Bioorg Med Chem Lett 6: 1381-1386 (1996) Article DOI: 10.1016/0960-894X(96)00234-X BindingDB Entry DOI: 10.7270/Q29P31NC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A/2B/2C (Mus musculus (Mouse))	BDBM50002288 (1-(4-Fluoro-phenyl)-2-{1-[2-(4-trifluoromethyl-phe...) Show SMILES Fc1ccc(cc1)C(=O)CC1CCN(CCc2ccc(cc2)C(F)(F)F)CC1 Show InChI InChI=1S/C22H23F4NO/c23-20-7-3-18(4-8-20)21(28)15-17-10-13-27(14-11-17)12-9-16-1-5-19(6-2-16)22(24,25)26/h1-8,17H,9-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for serotonin 5-hydroxytryptamine (5-HT) 2 receptors				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM28623 (4-[3-(3-chlorophenoxymethyl)-2-methylphenyl]piperi...) Show SMILES Cc1c(COc2cccc(Cl)c2)cccc1C1CCNCC1 Show InChI InChI=1S/C19H22ClNO/c1-14-16(13-22-18-6-3-5-17(20)12-18)4-2-7-19(14)15-8-10-21-11-9-15/h2-7,12,15,21H,8-11,13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.5	-48.3	n/a	n/a	n/a	n/a	n/a	n/a	25
Pfizer					Assay Description Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo...				Bioorg Med Chem Lett 19: 2409-12 (2009) Article DOI: 10.1016/j.bmcl.2009.03.077 BindingDB Entry DOI: 10.7270/Q24T6GP5
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50002267 (1-Benzyl-4-(4-methoxy-benzyloxymethyl)-piperidine;...) Show SMILES COc1ccc(COCC2CCN(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C21H27NO2/c1-23-21-9-7-19(8-10-21)16-24-17-20-11-13-22(14-12-20)15-18-5-3-2-4-6-18/h2-10,20H,11-17H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for the mouse sigma opioid receptor				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A/2B/2C (Mus musculus (Mouse))	BDBM50002213 (1-(4-Fluoro-phenyl)-2-{1-[2-(1H-indol-3-yl)-ethyl]...) Show SMILES Fc1ccc(cc1)C(=O)CC1CCN(CCc2c[nH]c3ccccc23)CC1 Show InChI InChI=1S/C23H25FN2O/c24-20-7-5-18(6-8-20)23(27)15-17-9-12-26(13-10-17)14-11-19-16-25-22-4-2-1-3-21(19)22/h1-8,16-17,25H,9-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for serotonin 5-hydroxytryptamine (5-HT) 2 receptors				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50002189 (2-(1-Benzyl-piperidin-4-yl)-1-(4-methoxy-phenyl)-e...) Show SMILES COc1ccc(cc1)C(=O)CC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C21H25NO2/c1-24-20-9-7-19(8-10-20)21(23)15-17-11-13-22(14-12-17)16-18-5-3-2-4-6-18/h2-10,17H,11-16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for the mouse sigma opioid receptor				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50398864 (CHEMBL2178164) Show SMILES COc1ccc(cc1)-c1nsc(C)c1C(=O)NC(N)=NCc1cc(Cl)c(NC(=O)CN2CCC2)c(Cl)c1 |w:19.21| Show InChI InChI=1S/C25H26Cl2N6O3S/c1-14-21(22(32-37-14)16-4-6-17(36-2)7-5-16)24(35)31-25(28)29-12-15-10-18(26)23(19(27)11-15)30-20(34)13-33-8-3-9-33/h4-7,10-11H,3,8-9,12-13H2,1-2H3,(H,30,34)(H3,28,29,31,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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
Bristol-Myers Squibb Research Curated by ChEMBL					Assay Description Displacement of [3H]BMS-599240 from BACE1 expressed in HEK293 cells				J Med Chem 55: 9208-23 (2012) Article DOI: 10.1021/jm300931y BindingDB Entry DOI: 10.7270/Q20G3M8M
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50002194 (4-(4-Fluoro-benzyloxymethyl)-1-phenethyl-piperidin...) Show SMILES Fc1ccc(COCC2CCN(CCc3ccccc3)CC2)cc1 Show InChI InChI=1S/C21H26FNO/c22-21-8-6-19(7-9-21)16-24-17-20-11-14-23(15-12-20)13-10-18-4-2-1-3-5-18/h1-9,20H,10-17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for the mouse sigma opioid receptor				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50002222 (1-Benzyl-4-benzyloxymethyl-piperidine; hydrochlori...) Show SMILES C(OCc1ccccc1)C1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C20H25NO/c1-3-7-18(8-4-1)15-21-13-11-20(12-14-21)17-22-16-19-9-5-2-6-10-19/h1-10,20H,11-17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for the mouse sigma opioid receptor				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50002260 (1-Cyclopropylmethyl-4-(2,4-dichloro-phenoxymethyl)...) Show SMILES Clc1ccc(OCC2CCN(CC3CC3)CC2)c(Cl)c1 Show InChI InChI=1S/C16H21Cl2NO/c17-14-3-4-16(15(18)9-14)20-11-13-5-7-19(8-6-13)10-12-1-2-12/h3-4,9,12-13H,1-2,5-8,10-11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for the mouse sigma opioid receptor				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50002256 (4-(4-Fluoro-benzyloxymethyl)-1-naphthalen-2-ylmeth...) Show SMILES Fc1ccc(COCC2CCN(Cc3ccc4ccccc4c3)CC2)cc1 Show InChI InChI=1S/C24H26FNO/c25-24-9-6-19(7-10-24)17-27-18-20-11-13-26(14-12-20)16-21-5-8-22-3-1-2-4-23(22)15-21/h1-10,15,20H,11-14,16-18H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for the mouse sigma opioid receptor				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50002290 (1-Benzyl-4-[2-(4-fluoro-phenoxy)-ethyl]-piperidine...) Show SMILES Fc1ccc(OCCC2CCN(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C20H24FNO/c21-19-6-8-20(9-7-19)23-15-12-17-10-13-22(14-11-17)16-18-4-2-1-3-5-18/h1-9,17H,10-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for the mouse sigma opioid receptor				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50002293 (4-(4-Chloro-phenoxymethyl)-1-cyclopropylmethyl-pip...) Show SMILES Clc1ccc(OCC2CCN(CC3CC3)CC2)cc1 Show InChI InChI=1S/C16H22ClNO/c17-15-3-5-16(6-4-15)19-12-14-7-9-18(10-8-14)11-13-1-2-13/h3-6,13-14H,1-2,7-12H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for the mouse sigma opioid receptor				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM28621 (3-methyl-4-(piperidin-4-yl)-2-[2,2,2-trifluoro-1-(...) Show SMILES Cc1c(OC(c2cccc(F)c2)C(F)(F)F)nccc1C1CCNCC1 Show InChI InChI=1S/C19H20F4N2O/c1-12-16(13-5-8-24-9-6-13)7-10-25-18(12)26-17(19(21,22)23)14-3-2-4-15(20)11-14/h2-4,7,10-11,13,17,24H,5-6,8-9H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.30	-47.8	n/a	n/a	n/a	n/a	n/a	n/a	25
Pfizer					Assay Description Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo...				Bioorg Med Chem Lett 19: 2409-12 (2009) Article DOI: 10.1016/j.bmcl.2009.03.077 BindingDB Entry DOI: 10.7270/Q24T6GP5
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50002225 (1-Benzyl-4-[2-(4-tert-butyl-benzyloxy)-ethyl]-pipe...) Show SMILES CC(C)(C)c1ccc(COCCC2CCN(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C25H35NO/c1-25(2,3)24-11-9-23(10-12-24)20-27-18-15-21-13-16-26(17-14-21)19-22-7-5-4-6-8-22/h4-12,21H,13-20H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for the mouse sigma opioid receptor				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50398882 (CHEMBL2178180) Show SMILES COc1ccc(cc1)-c1nsc(C)c1C(=O)NC(N)=NCc1cc(Cl)c(NC(C)=O)c(Cl)c1 |w:19.21| Show InChI InChI=1S/C22H21Cl2N5O3S/c1-11-18(19(29-33-11)14-4-6-15(32-3)7-5-14)21(31)28-22(25)26-10-13-8-16(23)20(17(24)9-13)27-12(2)30/h4-9H,10H2,1-3H3,(H,27,30)(H3,25,26,28,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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
Bristol-Myers Squibb Research Curated by ChEMBL					Assay Description Displacement of [3H]BMS-599240 from BACE1 expressed in HEK293 cells				J Med Chem 55: 9208-23 (2012) Article DOI: 10.1021/jm300931y BindingDB Entry DOI: 10.7270/Q20G3M8M
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50002264 (2-(1-Benzyl-piperidin-4-yl)-1-thiophen-2-yl-ethano...) Show SMILES OC(CC1CCN(Cc2ccccc2)CC1)c1cccs1 Show InChI InChI=1S/C18H23NOS/c20-17(18-7-4-12-21-18)13-15-8-10-19(11-9-15)14-16-5-2-1-3-6-16/h1-7,12,15,17,20H,8-11,13-14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for the mouse sigma opioid receptor				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50002200 (4-(4-Fluoro-phenoxymethyl)-1-(2-methyl-cyclopropyl...) Show SMILES CC1CC1CN1CCC(COc2ccc(F)cc2)CC1 Show InChI InChI=1S/C17H24FNO/c1-13-10-15(13)11-19-8-6-14(7-9-19)12-20-17-4-2-16(18)3-5-17/h2-5,13-15H,6-12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for the mouse sigma opioid receptor				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair

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