Compile Data Set for Download or QSAR

Found 2281 hits with Last Name = 'shen' and Initial = 'b'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Sigma intracellular receptor 2 (Mus musculus (Mouse))	BDBM312199 (US9604926, Compound CM-366) Show SMILES Fc1ccc(cc1)-c1ccc2[nH]c(=O)n(CCCCN3CCN(CC3)C3CCCCC3)c2c1 Show InChI InChI=1S/C27H35FN4O/c28-23-11-8-21(9-12-23)22-10-13-25-26(20-22)32(27(33)29-25)15-5-4-14-30-16-18-31(19-17-30)24-6-2-1-3-7-24/h8-13,20,24H,1-7,14-19H2,(H,29,33)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.00600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE UNIVERSITY OF MISSISSIPPI US Patent					Assay Description Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...				US Patent US9604926 (2017) BindingDB Entry DOI: 10.7270/Q27D2X6J
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM330349 (US9724435, Compound CM-366) Show SMILES Fc1ccc(cc1)-c1ccc2oc(=O)n(CCCCN3CCN(CC3)C3CCCCC3)c2c1 Show InChI InChI=1S/C27H34FN3O2/c28-23-11-8-21(9-12-23)22-10-13-26-25(20-22)31(27(32)33-26)15-5-4-14-29-16-18-30(19-17-29)24-6-2-1-3-7-24/h8-13,20,24H,1-7,14-19H2	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.00600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE UNIVERSITY OF MISSISSIPPI; THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY US Patent					Assay Description Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...				US Patent US9724435 (2017) BindingDB Entry DOI: 10.7270/Q2BZ6856
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM312198 (US9604926, Compound CM-365 | US9724435, Compound C...) Show SMILES Brc1ccc2oc(=O)n(CCCCN3CCN(CC3)C3CCCCC3)c2c1 Show InChI InChI=1S/C21H30BrN3O2/c22-17-8-9-20-19(16-17)25(21(26)27-20)11-5-4-10-23-12-14-24(15-13-23)18-6-2-1-3-7-18/h8-9,16,18H,1-7,10-15H2	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE UNIVERSITY OF MISSISSIPPI; THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY US Patent					Assay Description Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...				US Patent US9724435 (2017) BindingDB Entry DOI: 10.7270/Q2BZ6856
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Mus musculus (Mouse))	BDBM312198 (US9604926, Compound CM-365 | US9724435, Compound C...) Show SMILES Brc1ccc2oc(=O)n(CCCCN3CCN(CC3)C3CCCCC3)c2c1 Show InChI InChI=1S/C21H30BrN3O2/c22-17-8-9-20-19(16-17)25(21(26)27-20)11-5-4-10-23-12-14-24(15-13-23)18-6-2-1-3-7-18/h8-9,16,18H,1-7,10-15H2	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE UNIVERSITY OF MISSISSIPPI US Patent					Assay Description Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...				US Patent US9604926 (2017) BindingDB Entry DOI: 10.7270/Q27D2X6J
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50073602 (CHEMBL3408973) Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(OCCc2ccccc2)cc1 Show InChI InChI=1S/C28H32N4O2/c1-5-31(6-2)26(33)19-25-27(30-32-21(4)18-20(3)29-28(25)32)23-12-14-24(15-13-23)34-17-16-22-10-8-7-9-11-22/h7-15,18H,5-6,16-17,19H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in Wistar rat kidney mitochondrial fractions incubated for 90 mins by liquid scintillation counting method				Eur J Med Chem 93: 392-400 (2015) Article DOI: 10.1016/j.ejmech.2015.02.004 BindingDB Entry DOI: 10.7270/Q2G73GF4
					More data for this Ligand-Target Pair
Translocator protein (Homo sapiens (Human))	BDBM50122293 (CHEMBL401000 | CHEMBL63064 | N-(2,5-Dimethoxy-benz...) Show SMILES COc1ccc(OC)c(CN(C(C)=O)c2cc(F)ccc2Oc2ccccc2)c1 Show InChI InChI=1S/C23H22FNO4/c1-16(26)25(15-17-13-20(27-2)10-12-22(17)28-3)21-14-18(24)9-11-23(21)29-19-7-5-4-6-8-19/h4-14H,15H2,1-3H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
Stanford University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human TSPO				Eur J Med Chem 93: 392-400 (2015) Article DOI: 10.1016/j.ejmech.2015.02.004 BindingDB Entry DOI: 10.7270/Q2G73GF4
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Mus musculus (Mouse))	BDBM50353847 (CHEMBL1831157 | US9604926, Compound CM-360 | US972...) Show SMILES COc1cc2CCN(CCCCn3ccc4ccccc34)Cc2cc1OC Show InChI InChI=1S/C23H28N2O2/c1-26-22-15-19-9-13-24(17-20(19)16-23(22)27-2)11-5-6-12-25-14-10-18-7-3-4-8-21(18)25/h3-4,7-8,10,14-16H,5-6,9,11-13,17H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	0.210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE UNIVERSITY OF MISSISSIPPI US Patent					Assay Description Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...				US Patent US9604926 (2017) BindingDB Entry DOI: 10.7270/Q27D2X6J
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50353847 (CHEMBL1831157 | US9604926, Compound CM-360 | US972...) Show SMILES COc1cc2CCN(CCCCn3ccc4ccccc34)Cc2cc1OC Show InChI InChI=1S/C23H28N2O2/c1-26-22-15-19-9-13-24(17-20(19)16-23(22)27-2)11-5-6-12-25-14-10-18-7-3-4-8-21(18)25/h3-4,7-8,10,14-16H,5-6,9,11-13,17H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	0.210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE UNIVERSITY OF MISSISSIPPI; THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY US Patent					Assay Description Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...				US Patent US9724435 (2017) BindingDB Entry DOI: 10.7270/Q2BZ6856
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM312234 (US9604926, Compound AZ-68 | US9724435, Compound AZ...) Show SMILES Fc1ccc2n(CCCCN3CCN(CC3)C3CCCCC3)c(=O)sc2c1 Show InChI InChI=1S/C21H30FN3OS/c22-17-8-9-19-20(16-17)27-21(26)25(19)11-5-4-10-23-12-14-24(15-13-23)18-6-2-1-3-7-18/h8-9,16,18H,1-7,10-15H2	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE UNIVERSITY OF MISSISSIPPI; THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY US Patent					Assay Description Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...				US Patent US9724435 (2017) BindingDB Entry DOI: 10.7270/Q2BZ6856
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Mus musculus (Mouse))	BDBM312234 (US9604926, Compound AZ-68 | US9724435, Compound AZ...) Show SMILES Fc1ccc2n(CCCCN3CCN(CC3)C3CCCCC3)c(=O)sc2c1 Show InChI InChI=1S/C21H30FN3OS/c22-17-8-9-19-20(16-17)27-21(26)25(19)11-5-4-10-23-12-14-24(15-13-23)18-6-2-1-3-7-18/h8-9,16,18H,1-7,10-15H2	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE UNIVERSITY OF MISSISSIPPI US Patent					Assay Description Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...				US Patent US9604926 (2017) BindingDB Entry DOI: 10.7270/Q27D2X6J
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50073596 (CHEMBL3408967) Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(OCc2ccccc2F)cc1 Show InChI InChI=1S/C27H29FN4O2/c1-5-31(6-2)25(33)16-23-26(30-32-19(4)15-18(3)29-27(23)32)20-11-13-22(14-12-20)34-17-21-9-7-8-10-24(21)28/h7-15H,5-6,16-17H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in Wistar rat kidney mitochondrial fractions incubated for 90 mins by liquid scintillation counting method				Eur J Med Chem 93: 392-400 (2015) Article DOI: 10.1016/j.ejmech.2015.02.004 BindingDB Entry DOI: 10.7270/Q2G73GF4
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM312233 (US9604926, Compound AZ-66 | US9724435, Compound AZ...) Show SMILES CC(CCCn1c2ccc(F)cc2sc1=O)N1CCN(CC1)C1CCCCC1 Show InChI InChI=1S/C22H32FN3OS/c1-17(24-12-14-25(15-13-24)19-7-3-2-4-8-19)6-5-11-26-20-10-9-18(23)16-21(20)28-22(26)27/h9-10,16-17,19H,2-8,11-15H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE UNIVERSITY OF MISSISSIPPI US Patent					Assay Description Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...				US Patent US9604926 (2017) BindingDB Entry DOI: 10.7270/Q27D2X6J
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM312233 (US9604926, Compound AZ-66 | US9724435, Compound AZ...) Show SMILES CC(CCCn1c2ccc(F)cc2sc1=O)N1CCN(CC1)C1CCCCC1 Show InChI InChI=1S/C22H32FN3OS/c1-17(24-12-14-25(15-13-24)19-7-3-2-4-8-19)6-5-11-26-20-10-9-18(23)16-21(20)28-22(26)27/h9-10,16-17,19H,2-8,11-15H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE UNIVERSITY OF MISSISSIPPI; THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY US Patent					Assay Description Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...				US Patent US9724435 (2017) BindingDB Entry DOI: 10.7270/Q2BZ6856
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Mus musculus (Mouse))	BDBM50353844 (CHEMBL270341 | US9604926, Compound CM-145 | US9724...) Show SMILES O=c1sc2ccccc2n1CCCCN1CCN(CC1)C1CCCCC1 Show InChI InChI=1S/C21H31N3OS/c25-21-24(19-10-4-5-11-20(19)26-21)13-7-6-12-22-14-16-23(17-15-22)18-8-2-1-3-9-18/h4-5,10-11,18H,1-3,6-9,12-17H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	0.390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE UNIVERSITY OF MISSISSIPPI US Patent					Assay Description Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...				US Patent US9604926 (2017) BindingDB Entry DOI: 10.7270/Q27D2X6J
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50353844 (CHEMBL270341 | US9604926, Compound CM-145 | US9724...) Show SMILES O=c1sc2ccccc2n1CCCCN1CCN(CC1)C1CCCCC1 Show InChI InChI=1S/C21H31N3OS/c25-21-24(19-10-4-5-11-20(19)26-21)13-7-6-12-22-14-16-23(17-15-22)18-8-2-1-3-9-18/h4-5,10-11,18H,1-3,6-9,12-17H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	0.390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE UNIVERSITY OF MISSISSIPPI; THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY US Patent					Assay Description Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...				US Patent US9724435 (2017) BindingDB Entry DOI: 10.7270/Q2BZ6856
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50353844 (CHEMBL270341 | US9604926, Compound CM-145 | US9724...) Show SMILES O=c1sc2ccccc2n1CCCCN1CCN(CC1)C1CCCCC1 Show InChI InChI=1S/C21H31N3OS/c25-21-24(19-10-4-5-11-20(19)26-21)13-7-6-12-22-14-16-23(17-15-22)18-8-2-1-3-9-18/h4-5,10-11,18H,1-3,6-9,12-17H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	0.390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE UNIVERSITY OF MISSISSIPPI; THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY US Patent					Assay Description Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...				US Patent US9724435 (2017) BindingDB Entry DOI: 10.7270/Q2BZ6856
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Mus musculus (Mouse))	BDBM50353844 (CHEMBL270341 | US9604926, Compound CM-145 | US9724...) Show SMILES O=c1sc2ccccc2n1CCCCN1CCN(CC1)C1CCCCC1 Show InChI InChI=1S/C21H31N3OS/c25-21-24(19-10-4-5-11-20(19)26-21)13-7-6-12-22-14-16-23(17-15-22)18-8-2-1-3-9-18/h4-5,10-11,18H,1-3,6-9,12-17H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	0.390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE UNIVERSITY OF MISSISSIPPI US Patent					Assay Description Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...				US Patent US9604926 (2017) BindingDB Entry DOI: 10.7270/Q27D2X6J
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM312202 (US9604926, Compound CM-397 | US9724435, Compound C...) Show SMILES Cn1c2ccccc2n(CCCCN2CCN(CC2)c2ccc(F)cc2)c1=O Show InChI InChI=1S/C22H27FN4O/c1-24-20-6-2-3-7-21(20)27(22(24)28)13-5-4-12-25-14-16-26(17-15-25)19-10-8-18(23)9-11-19/h2-3,6-11H,4-5,12-17H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE UNIVERSITY OF MISSISSIPPI; THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY US Patent					Assay Description Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...				US Patent US9724435 (2017) BindingDB Entry DOI: 10.7270/Q2BZ6856
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Mus musculus (Mouse))	BDBM312202 (US9604926, Compound CM-397 | US9724435, Compound C...) Show SMILES Cn1c2ccccc2n(CCCCN2CCN(CC2)c2ccc(F)cc2)c1=O Show InChI InChI=1S/C22H27FN4O/c1-24-20-6-2-3-7-21(20)27(22(24)28)13-5-4-12-25-14-16-26(17-15-25)19-10-8-18(23)9-11-19/h2-3,6-11H,4-5,12-17H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE UNIVERSITY OF MISSISSIPPI US Patent					Assay Description Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...				US Patent US9604926 (2017) BindingDB Entry DOI: 10.7270/Q27D2X6J
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50073597 (CHEMBL3408968) Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(OCc2cccc(F)c2)cc1 Show InChI InChI=1S/C27H29FN4O2/c1-5-31(6-2)25(33)16-24-26(30-32-19(4)14-18(3)29-27(24)32)21-10-12-23(13-11-21)34-17-20-8-7-9-22(28)15-20/h7-15H,5-6,16-17H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in Wistar rat kidney mitochondrial fractions incubated for 90 mins by liquid scintillation counting method				Eur J Med Chem 93: 392-400 (2015) Article DOI: 10.1016/j.ejmech.2015.02.004 BindingDB Entry DOI: 10.7270/Q2G73GF4
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50040237 (2-Chloro-11-(4-methyl-piperazin-1-yl)-dibenzo[b,f]...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Sc2ccc(Cl)cc12 |t:8| Show InChI InChI=1S/C18H18ClN3S/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12H,8-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	US Patent	0.490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astrazeneca AB US Patent					Assay Description The ability of test compounds to displace 3H-raclopride at the D2s receptor can be determined on membranes from D2s-transfected CHO cells (Bmax 13 pm...				US Patent US8653257 (2014) BindingDB Entry DOI: 10.7270/Q2DR2T69
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM312235 (US9604926, Compound AZ-78 | US9724435, Compound AZ...) Show SMILES Fc1ccc2n(CCCCN3CCN(CC3)C3CCCCC3)c(=S)sc2c1 Show InChI InChI=1S/C21H30FN3S2/c22-17-8-9-19-20(16-17)27-21(26)25(19)11-5-4-10-23-12-14-24(15-13-23)18-6-2-1-3-7-18/h8-9,16,18H,1-7,10-15H2	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE UNIVERSITY OF MISSISSIPPI; THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY US Patent					Assay Description Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...				US Patent US9724435 (2017) BindingDB Entry DOI: 10.7270/Q2BZ6856
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Mus musculus (Mouse))	BDBM312235 (US9604926, Compound AZ-78 | US9724435, Compound AZ...) Show SMILES Fc1ccc2n(CCCCN3CCN(CC3)C3CCCCC3)c(=S)sc2c1 Show InChI InChI=1S/C21H30FN3S2/c22-17-8-9-19-20(16-17)27-21(26)25(19)11-5-4-10-23-12-14-24(15-13-23)18-6-2-1-3-7-18/h8-9,16,18H,1-7,10-15H2	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE UNIVERSITY OF MISSISSIPPI US Patent					Assay Description Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...				US Patent US9604926 (2017) BindingDB Entry DOI: 10.7270/Q27D2X6J
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Mus musculus (Mouse))	BDBM50374598 (CHEMBL272603 | US9604926, Compound CM-156 | US9724...) Show SMILES S=c1sc2ccccc2n1CCCCN1CCN(CC1)C1CCCCC1 Show InChI InChI=1S/C21H31N3S2/c25-21-24(19-10-4-5-11-20(19)26-21)13-7-6-12-22-14-16-23(17-15-22)18-8-2-1-3-9-18/h4-5,10-11,18H,1-3,6-9,12-17H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	0.550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE UNIVERSITY OF MISSISSIPPI US Patent					Assay Description Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...				US Patent US9604926 (2017) BindingDB Entry DOI: 10.7270/Q27D2X6J
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50374598 (CHEMBL272603 | US9604926, Compound CM-156 | US9724...) Show SMILES S=c1sc2ccccc2n1CCCCN1CCN(CC1)C1CCCCC1 Show InChI InChI=1S/C21H31N3S2/c25-21-24(19-10-4-5-11-20(19)26-21)13-7-6-12-22-14-16-23(17-15-22)18-8-2-1-3-9-18/h4-5,10-11,18H,1-3,6-9,12-17H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	0.550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE UNIVERSITY OF MISSISSIPPI; THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY US Patent					Assay Description Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...				US Patent US9724435 (2017) BindingDB Entry DOI: 10.7270/Q2BZ6856
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Mus musculus (Mouse))	BDBM312185 (US9604926, Compound CM-308 | US9724435, Compound C...) Show SMILES COc1cc2CCN(CCCCn3c4ccccc4sc3=S)Cc2cc1OC Show InChI InChI=1S/C22H26N2O2S2/c1-25-19-13-16-9-12-23(15-17(16)14-20(19)26-2)10-5-6-11-24-18-7-3-4-8-21(18)28-22(24)27/h3-4,7-8,13-14H,5-6,9-12,15H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE UNIVERSITY OF MISSISSIPPI US Patent					Assay Description Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...				US Patent US9604926 (2017) BindingDB Entry DOI: 10.7270/Q27D2X6J
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM312185 (US9604926, Compound CM-308 | US9724435, Compound C...) Show SMILES COc1cc2CCN(CCCCn3c4ccccc4sc3=S)Cc2cc1OC Show InChI InChI=1S/C22H26N2O2S2/c1-25-19-13-16-9-12-23(15-17(16)14-20(19)26-2)10-5-6-11-24-18-7-3-4-8-21(18)28-22(24)27/h3-4,7-8,13-14H,5-6,9-12,15H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE UNIVERSITY OF MISSISSIPPI; THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY US Patent					Assay Description Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...				US Patent US9724435 (2017) BindingDB Entry DOI: 10.7270/Q2BZ6856
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50374600 (CHEMBL272899) Show SMILES CCCc1ccc2n(CCN3CCCCCC3)c(=O)sc2c1 Show InChI InChI=1S/C18H26N2OS/c1-2-7-15-8-9-16-17(14-15)22-18(21)20(16)13-12-19-10-5-3-4-6-11-19/h8-9,14H,2-7,10-13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from Sigma1 receptor in rat liver homogenate				J Med Chem 55: 8272-82 (2012) Article DOI: 10.1021/jm300371c BindingDB Entry DOI: 10.7270/Q2V40WB0
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM312168 (US9604926, Compound CM-172 | US9724435, Compound C...) Show SMILES O=c1oc2ccccc2n1CCCCN1CCC(CC1)c1ccccc1 Show InChI InChI=1S/C22H26N2O2/c25-22-24(20-10-4-5-11-21(20)26-22)15-7-6-14-23-16-12-19(13-17-23)18-8-2-1-3-9-18/h1-5,8-11,19H,6-7,12-17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE UNIVERSITY OF MISSISSIPPI US Patent					Assay Description Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...				US Patent US9604926 (2017) BindingDB Entry DOI: 10.7270/Q27D2X6J
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM312168 (US9604926, Compound CM-172 | US9724435, Compound C...) Show SMILES O=c1oc2ccccc2n1CCCCN1CCC(CC1)c1ccccc1 Show InChI InChI=1S/C22H26N2O2/c25-22-24(20-10-4-5-11-21(20)26-22)15-7-6-14-23-16-12-19(13-17-23)18-8-2-1-3-9-18/h1-5,8-11,19H,6-7,12-17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE UNIVERSITY OF MISSISSIPPI; THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY US Patent					Assay Description Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...				US Patent US9724435 (2017) BindingDB Entry DOI: 10.7270/Q2BZ6856
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM312203 (US9604926, Compound CM-401 | US9724435, Compound C...) Show SMILES CC(=O)c1ccc2n(CCCCN3CCC(=CC3)c3ccc(F)cc3)c(=O)oc2c1 |c:15| Show InChI InChI=1S/C24H25FN2O3/c1-17(28)20-6-9-22-23(16-20)30-24(29)27(22)13-3-2-12-26-14-10-19(11-15-26)18-4-7-21(25)8-5-18/h4-10,16H,2-3,11-15H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE UNIVERSITY OF MISSISSIPPI; THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY US Patent					Assay Description Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...				US Patent US9724435 (2017) BindingDB Entry DOI: 10.7270/Q2BZ6856
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Mus musculus (Mouse))	BDBM312203 (US9604926, Compound CM-401 | US9724435, Compound C...) Show SMILES CC(=O)c1ccc2n(CCCCN3CCC(=CC3)c3ccc(F)cc3)c(=O)oc2c1 |c:15| Show InChI InChI=1S/C24H25FN2O3/c1-17(28)20-6-9-22-23(16-20)30-24(29)27(22)13-3-2-12-26-14-10-19(11-15-26)18-4-7-21(25)8-5-18/h4-10,16H,2-3,11-15H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE UNIVERSITY OF MISSISSIPPI US Patent					Assay Description Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...				US Patent US9604926 (2017) BindingDB Entry DOI: 10.7270/Q27D2X6J
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50073600 (CHEMBL3408971) Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(OCc2cccc(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C28H29F3N4O2/c1-5-34(6-2)25(36)16-24-26(33-35-19(4)14-18(3)32-27(24)35)21-10-12-23(13-11-21)37-17-20-8-7-9-22(15-20)28(29,30)31/h7-15H,5-6,16-17H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in Wistar rat kidney mitochondrial fractions incubated for 90 mins by liquid scintillation counting method				Eur J Med Chem 93: 392-400 (2015) Article DOI: 10.1016/j.ejmech.2015.02.004 BindingDB Entry DOI: 10.7270/Q2G73GF4
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM141314 (US8653257, 2-Chloro-11-piperazin-1-yl-dibenzo[b,f]...) Show SMILES Clc1ccc2Sc3ccccc3N=C(N3CCNCC3)c2c1 |t:13| Show InChI InChI=1S/C17H16ClN3S/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astrazeneca AB US Patent					Assay Description The ability of test compounds to displace 3H-raclopride at the D2s receptor can be determined on membranes from D2s-transfected CHO cells (Bmax 13 pm...				US Patent US8653257 (2014) BindingDB Entry DOI: 10.7270/Q2DR2T69
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Mus musculus (Mouse))	BDBM312166 (US9604926, Compound CM-170 | US9724435, Compound C...) Show SMILES Fc1ccc(cc1)N1CCN(CCCCn2c3ccccc3oc2=O)CC1 Show InChI InChI=1S/C21H24FN3O2/c22-17-7-9-18(10-8-17)24-15-13-23(14-16-24)11-3-4-12-25-19-5-1-2-6-20(19)27-21(25)26/h1-2,5-10H,3-4,11-16H2	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE UNIVERSITY OF MISSISSIPPI US Patent					Assay Description Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...				US Patent US9604926 (2017) BindingDB Entry DOI: 10.7270/Q27D2X6J
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50229594 (CHEMBL253597 | N-(2-methoxybenzyl)-N-(4-phenoxypyr...) Show SMILES COc1ccccc1CN(C(C)=O)c1cnccc1Oc1ccccc1 Show InChI InChI=1S/C21H20N2O3/c1-16(24)23(15-17-8-6-7-11-20(17)25-2)19-14-22-13-12-21(19)26-18-9-4-3-5-10-18/h3-14H,15H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University School of Medicine Curated by ChEMBL					Assay Description Inhibition of rat TSPO				Eur J Med Chem 93: 392-400 (2015) Article DOI: 10.1016/j.ejmech.2015.02.004 BindingDB Entry DOI: 10.7270/Q2G73GF4
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM312166 (US9604926, Compound CM-170 | US9724435, Compound C...) Show SMILES Fc1ccc(cc1)N1CCN(CCCCn2c3ccccc3oc2=O)CC1 Show InChI InChI=1S/C21H24FN3O2/c22-17-7-9-18(10-8-17)24-15-13-23(14-16-24)11-3-4-12-25-19-5-1-2-6-20(19)27-21(25)26/h1-2,5-10H,3-4,11-16H2	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE UNIVERSITY OF MISSISSIPPI; THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY US Patent					Assay Description Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...				US Patent US9724435 (2017) BindingDB Entry DOI: 10.7270/Q2BZ6856
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50073598 (CHEMBL3408969) Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(OCc2ccc(F)cc2)cc1 Show InChI InChI=1S/C27H29FN4O2/c1-5-31(6-2)25(33)16-24-26(30-32-19(4)15-18(3)29-27(24)32)21-9-13-23(14-10-21)34-17-20-7-11-22(28)12-8-20/h7-15H,5-6,16-17H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.770	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in Wistar rat kidney mitochondrial fractions incubated for 90 mins by liquid scintillation counting method				Eur J Med Chem 93: 392-400 (2015) Article DOI: 10.1016/j.ejmech.2015.02.004 BindingDB Entry DOI: 10.7270/Q2G73GF4
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50374595 (CHEMBL272854 | US9604926, Compound CM-372 | US9724...) Show SMILES S=c1oc2ccccc2n1CCCCN1CCN(CC1)C1CCCCC1 Show InChI InChI=1S/C21H31N3OS/c26-21-24(19-10-4-5-11-20(19)25-21)13-7-6-12-22-14-16-23(17-15-22)18-8-2-1-3-9-18/h4-5,10-11,18H,1-3,6-9,12-17H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	0.770	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE UNIVERSITY OF MISSISSIPPI; THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY US Patent					Assay Description Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...				US Patent US9724435 (2017) BindingDB Entry DOI: 10.7270/Q2BZ6856
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Mus musculus (Mouse))	BDBM50374595 (CHEMBL272854 | US9604926, Compound CM-372 | US9724...) Show SMILES S=c1oc2ccccc2n1CCCCN1CCN(CC1)C1CCCCC1 Show InChI InChI=1S/C21H31N3OS/c26-21-24(19-10-4-5-11-20(19)25-21)13-7-6-12-22-14-16-23(17-15-22)18-8-2-1-3-9-18/h4-5,10-11,18H,1-3,6-9,12-17H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	0.770	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE UNIVERSITY OF MISSISSIPPI US Patent					Assay Description Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...				US Patent US9604926 (2017) BindingDB Entry DOI: 10.7270/Q27D2X6J
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50403654 (CHEMBL2115073) Show SMILES CCC(O)(CC)C1CCN(CC[C@H](CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 |r| Show InChI InChI=1S/C28H38Cl2N2O2/c1-4-28(34,5-2)24-14-17-32(18-15-24)16-13-23(22-11-12-25(29)26(30)19-22)20-31(3)27(33)21-9-7-6-8-10-21/h6-12,19,23-24,34H,4-5,13-18,20H2,1-3H3/t23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.840	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]- NKA from human NK-2 receptor expressed in MEL cells				Bioorg Med Chem Lett 8: 1935-40 (1999) BindingDB Entry DOI: 10.7270/Q2J38RPQ
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50073591 (CHEMBL3408960) Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(OC2CCC2)cc1 Show InChI InChI=1S/C24H30N4O2/c1-5-27(6-2)22(29)15-21-23(26-28-17(4)14-16(3)25-24(21)28)18-10-12-20(13-11-18)30-19-8-7-9-19/h10-14,19H,5-9,15H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.860	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in Wistar rat kidney mitochondrial fractions incubated for 90 mins by liquid scintillation counting method				Eur J Med Chem 93: 392-400 (2015) Article DOI: 10.1016/j.ejmech.2015.02.004 BindingDB Entry DOI: 10.7270/Q2G73GF4
					More data for this Ligand-Target Pair
Translocator protein (Homo sapiens (Human))	BDBM50073588 (CHEMBL3408974) Show SMILES CCN(CC)C(=O)[C@H]1CCCc2c1c1ccccc1n2CCF |r| Show InChI InChI=1S/C19H25FN2O/c1-3-21(4-2)19(23)15-9-7-11-17-18(15)14-8-5-6-10-16(14)22(17)13-12-20/h5-6,8,10,15H,3-4,7,9,11-13H2,1-2H3/t15-/m0/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University School of Medicine Curated by ChEMBL					Assay Description Inhibition of TSPO (unknown origin)				Eur J Med Chem 93: 392-400 (2015) Article DOI: 10.1016/j.ejmech.2015.02.004 BindingDB Entry DOI: 10.7270/Q2G73GF4
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM312167 (US9604926, Compound CM-171 | US9724435, Compound C...) Show SMILES O=c1oc2ccccc2n1CCCCN1CCN(CC2CCCCC2)CC1 Show InChI InChI=1S/C22H33N3O2/c26-22-25(20-10-4-5-11-21(20)27-22)13-7-6-12-23-14-16-24(17-15-23)18-19-8-2-1-3-9-19/h4-5,10-11,19H,1-3,6-9,12-18H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.940	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE UNIVERSITY OF MISSISSIPPI; THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY US Patent					Assay Description Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...				US Patent US9724435 (2017) BindingDB Entry DOI: 10.7270/Q2BZ6856
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM312167 (US9604926, Compound CM-171 | US9724435, Compound C...) Show SMILES O=c1oc2ccccc2n1CCCCN1CCN(CC2CCCCC2)CC1 Show InChI InChI=1S/C22H33N3O2/c26-22-25(20-10-4-5-11-21(20)27-22)13-7-6-12-23-14-16-24(17-15-23)18-19-8-2-1-3-9-19/h4-5,10-11,19H,1-3,6-9,12-18H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.940	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE UNIVERSITY OF MISSISSIPPI US Patent					Assay Description Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...				US Patent US9604926 (2017) BindingDB Entry DOI: 10.7270/Q27D2X6J
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50398057 (CHEMBL2181924) Show SMILES FCCCc1ccc2n(CCN3CCCCCC3)c(=O)sc2c1 Show InChI InChI=1S/C18H25FN2OS/c19-9-5-6-15-7-8-16-17(14-15)23-18(22)21(16)13-12-20-10-3-1-2-4-11-20/h7-8,14H,1-6,9-13H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.960	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from Sigma1 receptor in rat liver homogenate				J Med Chem 55: 8272-82 (2012) Article DOI: 10.1021/jm300371c BindingDB Entry DOI: 10.7270/Q2V40WB0
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50398057 (CHEMBL2181924) Show SMILES FCCCc1ccc2n(CCN3CCCCCC3)c(=O)sc2c1 Show InChI InChI=1S/C18H25FN2OS/c19-9-5-6-15-7-8-16-17(14-15)23-18(22)21(16)13-12-20-10-3-1-2-4-11-20/h7-8,14H,1-6,9-13H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.960	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from Sigma1 receptor in rat liver homogenate				J Med Chem 55: 8272-82 (2012) Article DOI: 10.1021/jm300371c BindingDB Entry DOI: 10.7270/Q2V40WB0
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Mus musculus (Mouse))	BDBM312231 (US9604926, Compound AZ-59 | US9724435, Compound AZ...) Show SMILES CC(CCCn1c2ccccc2sc1=S)N1CCN(CC1)C1CCCCC1 Show InChI InChI=1S/C22H33N3S2/c1-18(23-14-16-24(17-15-23)19-9-3-2-4-10-19)8-7-13-25-20-11-5-6-12-21(20)27-22(25)26/h5-6,11-12,18-19H,2-4,7-10,13-17H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.990	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE UNIVERSITY OF MISSISSIPPI US Patent					Assay Description Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...				US Patent US9604926 (2017) BindingDB Entry DOI: 10.7270/Q27D2X6J
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50073595 (CHEMBL3408966) Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C27H30N4O2/c1-5-30(6-2)25(32)17-24-26(29-31-20(4)16-19(3)28-27(24)31)22-12-14-23(15-13-22)33-18-21-10-8-7-9-11-21/h7-16H,5-6,17-18H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.990	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in Wistar rat kidney mitochondrial fractions incubated for 90 mins by liquid scintillation counting method				Eur J Med Chem 93: 392-400 (2015) Article DOI: 10.1016/j.ejmech.2015.02.004 BindingDB Entry DOI: 10.7270/Q2G73GF4
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM312231 (US9604926, Compound AZ-59 | US9724435, Compound AZ...) Show SMILES CC(CCCn1c2ccccc2sc1=S)N1CCN(CC1)C1CCCCC1 Show InChI InChI=1S/C22H33N3S2/c1-18(23-14-16-24(17-15-23)19-9-3-2-4-10-19)8-7-13-25-20-11-5-6-12-21(20)27-22(25)26/h5-6,11-12,18-19H,2-4,7-10,13-17H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.990	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE UNIVERSITY OF MISSISSIPPI; THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY US Patent					Assay Description Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...				US Patent US9724435 (2017) BindingDB Entry DOI: 10.7270/Q2BZ6856
					More data for this Ligand-Target Pair

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