Compile Data Set for Download or QSAR

Found 58 hits with Last Name = 'seminerio' and Initial = 'mj'   

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 non-opioid intracellular receptor 1 (RAT)	BDBM50353848 (CHEMBL1831159) Show SMILES CC(=O)c1ccc2n(CCCCN3CCN(CC3)c3ccc(F)cc3)ccc2c1 Show InChI InChI=1S/C24H28FN3O/c1-19(29)20-4-9-24-21(18-20)10-13-28(24)12-3-2-11-26-14-16-27(17-15-26)23-7-5-22(25)6-8-23/h4-10,13,18H,2-3,11-12,14-17H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of (-)-[3H]pentazocine from sigma 1 receptor in rat brain membrane after 120 mins				Eur J Med Chem 46: 5154-61 (2011) Article DOI: 10.1016/j.ejmech.2011.08.031 BindingDB Entry DOI: 10.7270/Q2PV6KRM
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50353845 (CHEMBL1830149 | US9604926, Compound CM-341 | US972...) Show SMILES C(CCn1ccc2ccccc12)CN1CCN(CC1)C1CCCCC1 Show InChI InChI=1S/C22H33N3/c1-2-9-21(10-3-1)24-18-16-23(17-19-24)13-6-7-14-25-15-12-20-8-4-5-11-22(20)25/h4-5,8,11-12,15,21H,1-3,6-7,9-10,13-14,16-19H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of (-)-[3H]pentazocine from sigma 1 receptor in rat brain membrane after 120 mins				Eur J Med Chem 46: 5154-61 (2011) Article DOI: 10.1016/j.ejmech.2011.08.031 BindingDB Entry DOI: 10.7270/Q2PV6KRM
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	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	3.35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of (-)-[3H]pentazocine from sigma 1 receptor in rat brain membrane after 120 mins				Eur J Med Chem 46: 5154-61 (2011) Article DOI: 10.1016/j.ejmech.2011.08.031 BindingDB Entry DOI: 10.7270/Q2PV6KRM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sigma non-opioid intracellular receptor 1 (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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of (-)-[3H]pentazocine from sigma 1 receptor in rat brain membrane after 120 mins				Eur J Med Chem 46: 5154-61 (2011) Article DOI: 10.1016/j.ejmech.2011.08.031 BindingDB Entry DOI: 10.7270/Q2PV6KRM
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50493002 (CHEMBL2413795) Show SMILES CN(C)[C@H]1CCCC[C@@H]1OCCCc1ccccc1 |r| Show InChI InChI=1S/C17H27NO/c1-18(2)16-12-6-7-13-17(16)19-14-8-11-15-9-4-3-5-10-15/h3-5,9-10,16-17H,6-8,11-14H2,1-2H3/t16-,17-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in rat brain homogenates after 120 mins by liquid scintillation counting				Bioorg Med Chem 21: 4923-7 (2013) Article DOI: 10.1016/j.bmc.2013.06.068 BindingDB Entry DOI: 10.7270/Q2TM7F26
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50353859 (CHEMBL1831158) Show SMILES CC(=O)c1ccc2n(CCCCN3CCN(CC3)C3CCCCC3)ccc2c1 Show InChI InChI=1S/C24H35N3O/c1-20(28)21-9-10-24-22(19-21)11-14-27(24)13-6-5-12-25-15-17-26(18-16-25)23-7-3-2-4-8-23/h9-11,14,19,23H,2-8,12-13,15-18H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	5.33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of (-)-[3H]pentazocine from sigma 1 receptor in rat brain membrane after 120 mins				Eur J Med Chem 46: 5154-61 (2011) Article DOI: 10.1016/j.ejmech.2011.08.031 BindingDB Entry DOI: 10.7270/Q2PV6KRM
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50353849 (CHEMBL1831160) Show SMILES COc1cc2CCN(CCCCn3ccc4cc(ccc34)C(C)=O)Cc2cc1OC Show InChI InChI=1S/C25H30N2O3/c1-18(28)19-6-7-23-21(14-19)9-13-27(23)11-5-4-10-26-12-8-20-15-24(29-2)25(30-3)16-22(20)17-26/h6-7,9,13-16H,4-5,8,10-12,17H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	14.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of (-)-[3H]pentazocine from sigma 1 receptor in rat brain membrane after 120 mins				Eur J Med Chem 46: 5154-61 (2011) Article DOI: 10.1016/j.ejmech.2011.08.031 BindingDB Entry DOI: 10.7270/Q2PV6KRM
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50035105 (1'-{4-[1-(4-fluorophenyl)-1H-3-indolyl]butyl}spiro...) Show SMILES Fc1ccc(cc1)-n1cc(CCCCN2CCC3(CC2)OCc2ccccc32)c2ccccc12 Show InChI InChI=1S/C30H31FN2O/c31-25-12-14-26(15-13-25)33-21-23(27-9-2-4-11-29(27)33)7-5-6-18-32-19-16-30(17-20-32)28-10-3-1-8-24(28)22-34-30/h1-4,8-15,21H,5-7,16-20,22H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Binding affinity to sigma 1 receptor				Eur J Med Chem 46: 5154-61 (2011) Article DOI: 10.1016/j.ejmech.2011.08.031 BindingDB Entry DOI: 10.7270/Q2PV6KRM
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50493000 (CHEMBL2413878) Show SMILES CN(CCCc1ccccc1)[C@H]1CCCC[C@@H]1O |r| Show InChI InChI=1S/C16H25NO/c1-17(15-11-5-6-12-16(15)18)13-7-10-14-8-3-2-4-9-14/h2-4,8-9,15-16,18H,5-7,10-13H2,1H3/t15-,16-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in rat brain homogenates after 120 mins by liquid scintillation counting				Bioorg Med Chem 21: 4923-7 (2013) Article DOI: 10.1016/j.bmc.2013.06.068 BindingDB Entry DOI: 10.7270/Q2TM7F26
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50315831 (1-(3-Phenylpropyl)-4-(3-pyridyl)piperazine | CHEMB...) Show SMILES C(CN1CCN(CC1)c1cccnc1)Cc1ccccc1 Show InChI InChI=1S/C18H23N3/c1-2-6-17(7-3-1)8-5-11-20-12-14-21(15-13-20)18-9-4-10-19-16-18/h1-4,6-7,9-10,16H,5,8,11-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocin from rat brain membrane sigma 1receptor after 120 mins				Bioorg Med Chem Lett 20: 2564-5 (2010) Article DOI: 10.1016/j.bmcl.2010.02.087 BindingDB Entry DOI: 10.7270/Q2833S6G
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50109389 (1-Phenethyl-piperidine | 1-phenethylpiperidine | C...) Show SMILES C(Cc1ccccc1)N1CCCCC1 Show InChI InChI=1S/C13H19N/c1-3-7-13(8-4-1)9-12-14-10-5-2-6-11-14/h1,3-4,7-8H,2,5-6,9-12H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in rat brain homogenates after 120 mins by liquid scintillation counting				Bioorg Med Chem 21: 4923-7 (2013) Article DOI: 10.1016/j.bmc.2013.06.068 BindingDB Entry DOI: 10.7270/Q2TM7F26
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50315829 (1-(3-Phenylpropyl)-4-(4-pyridyl)piperazine | CHEMB...) Show SMILES C(CN1CCN(CC1)c1ccncc1)Cc1ccccc1 Show InChI InChI=1S/C18H23N3/c1-2-5-17(6-3-1)7-4-12-20-13-15-21(16-14-20)18-8-10-19-11-9-18/h1-3,5-6,8-11H,4,7,12-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocin from rat brain membrane sigma 1receptor after 120 mins				Bioorg Med Chem Lett 20: 2564-5 (2010) Article DOI: 10.1016/j.bmcl.2010.02.087 BindingDB Entry DOI: 10.7270/Q2833S6G
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50353856 (CHEMBL1831167) Show SMILES C(CCn1cc(-c2ccoc2)c2ccccc12)CN1CCN(CC1)C1CCCCC1 Show InChI InChI=1S/C26H35N3O/c1-2-8-23(9-3-1)28-17-15-27(16-18-28)13-6-7-14-29-20-25(22-12-19-30-21-22)24-10-4-5-11-26(24)29/h4-5,10-12,19-21,23H,1-3,6-9,13-18H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	34.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of (-)-[3H]pentazocine from sigma 1 receptor in rat brain membrane after 120 mins				Eur J Med Chem 46: 5154-61 (2011) Article DOI: 10.1016/j.ejmech.2011.08.031 BindingDB Entry DOI: 10.7270/Q2PV6KRM
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50315828 (1-(2-Phenylethyl)-4-(4-pyridyl)piperazine | CHEMBL...) Show SMILES C(Cc1ccccc1)N1CCN(CC1)c1ccncc1 Show InChI InChI=1S/C17H21N3/c1-2-4-16(5-3-1)8-11-19-12-14-20(15-13-19)17-6-9-18-10-7-17/h1-7,9-10H,8,11-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocin from rat brain membrane sigma 1receptor after 120 mins				Bioorg Med Chem Lett 20: 2564-5 (2010) Article DOI: 10.1016/j.bmcl.2010.02.087 BindingDB Entry DOI: 10.7270/Q2833S6G
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50492998 (CHEMBL2413796) Show SMILES CN(C)[C@H]1CCCC[C@@H]1OC\C=C\c1ccccc1 |r| Show InChI InChI=1S/C17H25NO/c1-18(2)16-12-6-7-13-17(16)19-14-8-11-15-9-4-3-5-10-15/h3-5,8-11,16-17H,6-7,12-14H2,1-2H3/b11-8+/t16-,17-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in rat brain homogenates after 120 mins by liquid scintillation counting				Bioorg Med Chem 21: 4923-7 (2013) Article DOI: 10.1016/j.bmc.2013.06.068 BindingDB Entry DOI: 10.7270/Q2TM7F26
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50353846 (CHEMBL1831156 | US9604926, Compound CM-338 | US972...) Show SMILES Fc1ccc(cc1)N1CCN(CCCCn2ccc3ccccc23)CC1 Show InChI InChI=1S/C22H26FN3/c23-20-7-9-21(10-8-20)25-17-15-24(16-18-25)12-3-4-13-26-14-11-19-5-1-2-6-22(19)26/h1-2,5-11,14H,3-4,12-13,15-18H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	71.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of (-)-[3H]pentazocine from sigma 1 receptor in rat brain membrane after 120 mins				Eur J Med Chem 46: 5154-61 (2011) Article DOI: 10.1016/j.ejmech.2011.08.031 BindingDB Entry DOI: 10.7270/Q2PV6KRM
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50109383 (1-(3-Phenyl-propyl)-4-pyridin-2-yl-piperazine | 1-...) Show SMILES C(CN1CCN(CC1)c1ccccn1)Cc1ccccc1 Show InChI InChI=1S/C18H23N3/c1-2-7-17(8-3-1)9-6-12-20-13-15-21(16-14-20)18-10-4-5-11-19-18/h1-5,7-8,10-11H,6,9,12-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	83	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocin from rat brain membrane sigma 1receptor after 120 mins				Bioorg Med Chem Lett 20: 2564-5 (2010) Article DOI: 10.1016/j.bmcl.2010.02.087 BindingDB Entry DOI: 10.7270/Q2833S6G
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50493001 (CHEMBL2413877) Show SMILES CN(CCc1ccccc1)[C@H]1CCCC[C@@H]1OCCCc1ccccc1 |r| Show InChI InChI=1S/C24H33NO/c1-25(19-18-22-13-6-3-7-14-22)23-16-8-9-17-24(23)26-20-10-15-21-11-4-2-5-12-21/h2-7,11-14,23-24H,8-10,15-20H2,1H3/t23-,24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	84	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in rat brain homogenates after 120 mins by liquid scintillation counting				Bioorg Med Chem 21: 4923-7 (2013) Article DOI: 10.1016/j.bmc.2013.06.068 BindingDB Entry DOI: 10.7270/Q2TM7F26
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50353853 (CHEMBL1831164 | US9604926, Compound CM-349 | US972...) Show SMILES Fc1ccc(cc1)-c1cn(CCCCN2CCN(CC2)C2CCCCC2)c2ccccc12 Show InChI InChI=1S/C28H36FN3/c29-24-14-12-23(13-15-24)27-22-32(28-11-5-4-10-26(27)28)17-7-6-16-30-18-20-31(21-19-30)25-8-2-1-3-9-25/h4-5,10-15,22,25H,1-3,6-9,16-21H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	90.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of (-)-[3H]pentazocine from sigma 1 receptor in rat brain membrane after 120 mins				Eur J Med Chem 46: 5154-61 (2011) Article DOI: 10.1016/j.ejmech.2011.08.031 BindingDB Entry DOI: 10.7270/Q2PV6KRM
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50353850 (CHEMBL1831161) Show SMILES C(CCn1cc(-c2ccccc2)c2ccccc12)CN1CCN(CC1)C1CCCCC1 Show InChI InChI=1S/C28H37N3/c1-3-11-24(12-4-1)27-23-31(28-16-8-7-15-26(27)28)18-10-9-17-29-19-21-30(22-20-29)25-13-5-2-6-14-25/h1,3-4,7-8,11-12,15-16,23,25H,2,5-6,9-10,13-14,17-22H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	92.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of (-)-[3H]pentazocine from sigma 1 receptor in rat brain membrane after 120 mins				Eur J Med Chem 46: 5154-61 (2011) Article DOI: 10.1016/j.ejmech.2011.08.031 BindingDB Entry DOI: 10.7270/Q2PV6KRM
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50315830 (1-(2-Phenylethyl)-4-(3-pyridyl)piperazine | CHEMBL...) Show SMILES C(Cc1ccccc1)N1CCN(CC1)c1cccnc1 Show InChI InChI=1S/C17H21N3/c1-2-5-16(6-3-1)8-10-19-11-13-20(14-12-19)17-7-4-9-18-15-17/h1-7,9,15H,8,10-14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	97	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocin from rat brain membrane sigma 1receptor after 120 mins				Bioorg Med Chem Lett 20: 2564-5 (2010) Article DOI: 10.1016/j.bmcl.2010.02.087 BindingDB Entry DOI: 10.7270/Q2833S6G
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50492997 (CHEMBL2413876) Show SMILES CN(CCc1ccccc1)[C@H]1CCCC[C@@H]1O |r| Show InChI InChI=1S/C15H23NO/c1-16(14-9-5-6-10-15(14)17)12-11-13-7-3-2-4-8-13/h2-4,7-8,14-15,17H,5-6,9-12H2,1H3/t14-,15-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in rat brain homogenates after 120 mins by liquid scintillation counting				Bioorg Med Chem 21: 4923-7 (2013) Article DOI: 10.1016/j.bmc.2013.06.068 BindingDB Entry DOI: 10.7270/Q2TM7F26
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	141	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of (-)-[3H]pentazocine from sigma 1 receptor in rat brain membrane after 120 mins				Eur J Med Chem 46: 5154-61 (2011) Article DOI: 10.1016/j.ejmech.2011.08.031 BindingDB Entry DOI: 10.7270/Q2PV6KRM
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50353851 (CHEMBL1831162) Show SMILES Fc1ccc(cc1)N1CCN(CCCCn2cc(-c3ccccc3)c3ccccc23)CC1 Show InChI InChI=1S/C28H30FN3/c29-24-12-14-25(15-13-24)31-20-18-30(19-21-31)16-6-7-17-32-22-27(23-8-2-1-3-9-23)26-10-4-5-11-28(26)32/h1-5,8-15,22H,6-7,16-21H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	222	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of (-)-[3H]pentazocine from sigma 1 receptor in rat brain membrane after 120 mins				Eur J Med Chem 46: 5154-61 (2011) Article DOI: 10.1016/j.ejmech.2011.08.031 BindingDB Entry DOI: 10.7270/Q2PV6KRM
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50353857 (CHEMBL1831168) Show SMILES Fc1ccc(cc1)N1CCN(CCCCn2cc(-c3ccoc3)c3ccccc23)CC1 Show InChI InChI=1S/C26H28FN3O/c27-22-7-9-23(10-8-22)29-16-14-28(15-17-29)12-3-4-13-30-19-25(21-11-18-31-20-21)24-5-1-2-6-26(24)30/h1-2,5-11,18-20H,3-4,12-17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	279	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of (-)-[3H]pentazocine from sigma 1 receptor in rat brain membrane after 120 mins				Eur J Med Chem 46: 5154-61 (2011) Article DOI: 10.1016/j.ejmech.2011.08.031 BindingDB Entry DOI: 10.7270/Q2PV6KRM
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50353855 (CHEMBL1831166 | US9604926, Compound CM-361 | US972...) Show SMILES COc1cc2CCN(CCCCn3cc(-c4ccc(F)cc4)c4ccccc34)Cc2cc1OC Show InChI InChI=1S/C29H31FN2O2/c1-33-28-17-22-13-16-31(19-23(22)18-29(28)34-2)14-5-6-15-32-20-26(21-9-11-24(30)12-10-21)25-7-3-4-8-27(25)32/h3-4,7-12,17-18,20H,5-6,13-16,19H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	295	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human SERT expressed in HEK293 cells				Eur J Med Chem 46: 5154-61 (2011) Article DOI: 10.1016/j.ejmech.2011.08.031 BindingDB Entry DOI: 10.7270/Q2PV6KRM
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50109388 (1-(2-phenylethyl)-4-(2-pyridyl)piperazine | 1-Phen...) Show SMILES C(Cc1ccccc1)N1CCN(CC1)c1ccccn1 Show InChI InChI=1S/C17H21N3/c1-2-6-16(7-3-1)9-11-19-12-14-20(15-13-19)17-8-4-5-10-18-17/h1-8,10H,9,11-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	326	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocin from rat brain membrane sigma 1receptor after 120 mins				Bioorg Med Chem Lett 20: 2564-5 (2010) Article DOI: 10.1016/j.bmcl.2010.02.087 BindingDB Entry DOI: 10.7270/Q2833S6G
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50353855 (CHEMBL1831166 | US9604926, Compound CM-361 | US972...) Show SMILES COc1cc2CCN(CCCCn3cc(-c4ccc(F)cc4)c4ccccc34)Cc2cc1OC Show InChI InChI=1S/C29H31FN2O2/c1-33-28-17-22-13-16-31(19-23(22)18-29(28)34-2)14-5-6-15-32-20-26(21-9-11-24(30)12-10-21)25-7-3-4-8-27(25)32/h3-4,7-12,17-18,20H,5-6,13-16,19H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	544	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [3H]YM-09151-2 from human D3 receptor expressed in CHO cells				Eur J Med Chem 46: 5154-61 (2011) Article DOI: 10.1016/j.ejmech.2011.08.031 BindingDB Entry DOI: 10.7270/Q2PV6KRM
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50353858 (CHEMBL1831169) Show SMILES COc1cc2CCN(CCCCn3cc(-c4ccoc4)c4ccccc34)Cc2cc1OC Show InChI InChI=1S/C27H30N2O3/c1-30-26-15-20-9-13-28(17-22(20)16-27(26)31-2)11-5-6-12-29-18-24(21-10-14-32-19-21)23-7-3-4-8-25(23)29/h3-4,7-8,10,14-16,18-19H,5-6,9,11-13,17H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	614	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of (-)-[3H]pentazocine from sigma 1 receptor in rat brain membrane after 120 mins				Eur J Med Chem 46: 5154-61 (2011) Article DOI: 10.1016/j.ejmech.2011.08.031 BindingDB Entry DOI: 10.7270/Q2PV6KRM
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50353852 (CHEMBL1831163) Show SMILES COc1cc2CCN(CCCCn3cc(-c4ccccc4)c4ccccc34)Cc2cc1OC Show InChI InChI=1S/C29H32N2O2/c1-32-28-18-23-14-17-30(20-24(23)19-29(28)33-2)15-8-9-16-31-21-26(22-10-4-3-5-11-22)25-12-6-7-13-27(25)31/h3-7,10-13,18-19,21H,8-9,14-17,20H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	714	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of (-)-[3H]pentazocine from sigma 1 receptor in rat brain membrane after 120 mins				Eur J Med Chem 46: 5154-61 (2011) Article DOI: 10.1016/j.ejmech.2011.08.031 BindingDB Entry DOI: 10.7270/Q2PV6KRM
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50492999 (CHEMBL2413879) Show SMILES CN(CCCc1ccccc1)[C@H]1CCCC[C@@H]1OCCCc1ccccc1 |r| Show InChI InChI=1S/C25H35NO/c1-26(20-10-16-22-12-4-2-5-13-22)24-18-8-9-19-25(24)27-21-11-17-23-14-6-3-7-15-23/h2-7,12-15,24-25H,8-11,16-21H2,1H3/t24-,25-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in rat brain homogenates after 120 mins by liquid scintillation counting				Bioorg Med Chem 21: 4923-7 (2013) Article DOI: 10.1016/j.bmc.2013.06.068 BindingDB Entry DOI: 10.7270/Q2TM7F26
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50353855 (CHEMBL1831166 | US9604926, Compound CM-361 | US972...) Show SMILES COc1cc2CCN(CCCCn3cc(-c4ccc(F)cc4)c4ccccc34)Cc2cc1OC Show InChI InChI=1S/C29H31FN2O2/c1-33-28-17-22-13-16-31(19-23(22)18-29(28)34-2)14-5-6-15-32-20-26(21-9-11-24(30)12-10-21)25-7-3-4-8-27(25)32/h3-4,7-12,17-18,20H,5-6,13-16,19H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [3H]YM-09151-2 from human D2 receptor expressed in CHO cells				Eur J Med Chem 46: 5154-61 (2011) Article DOI: 10.1016/j.ejmech.2011.08.031 BindingDB Entry DOI: 10.7270/Q2PV6KRM
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50353854 (CHEMBL1831165 | US9604926, Compound CM-350 | US972...) Show SMILES Fc1ccc(cc1)N1CCN(CCCCn2cc(-c3ccc(F)cc3)c3ccccc23)CC1 Show InChI InChI=1S/C28H29F2N3/c29-23-9-7-22(8-10-23)27-21-33(28-6-2-1-5-26(27)28)16-4-3-15-31-17-19-32(20-18-31)25-13-11-24(30)12-14-25/h1-2,5-14,21H,3-4,15-20H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of (-)-[3H]pentazocine from sigma 1 receptor in rat brain membrane after 120 mins				Eur J Med Chem 46: 5154-61 (2011) Article DOI: 10.1016/j.ejmech.2011.08.031 BindingDB Entry DOI: 10.7270/Q2PV6KRM
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50353855 (CHEMBL1831166 | US9604926, Compound CM-361 | US972...) Show SMILES COc1cc2CCN(CCCCn3cc(-c4ccc(F)cc4)c4ccccc34)Cc2cc1OC Show InChI InChI=1S/C29H31FN2O2/c1-33-28-17-22-13-16-31(19-23(22)18-29(28)34-2)14-5-6-15-32-20-26(21-9-11-24(30)12-10-21)25-7-3-4-8-27(25)32/h3-4,7-12,17-18,20H,5-6,13-16,19H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.27E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT2A receptor expressed in HEK cells				Eur J Med Chem 46: 5154-61 (2011) Article DOI: 10.1016/j.ejmech.2011.08.031 BindingDB Entry DOI: 10.7270/Q2PV6KRM
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50353855 (CHEMBL1831166 | US9604926, Compound CM-361 | US972...) Show SMILES COc1cc2CCN(CCCCn3cc(-c4ccc(F)cc4)c4ccccc34)Cc2cc1OC Show InChI InChI=1S/C29H31FN2O2/c1-33-28-17-22-13-16-31(19-23(22)18-29(28)34-2)14-5-6-15-32-20-26(21-9-11-24(30)12-10-21)25-7-3-4-8-27(25)32/h3-4,7-12,17-18,20H,5-6,13-16,19H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.35E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human NET expressed in HEK293 cells				Eur J Med Chem 46: 5154-61 (2011) Article DOI: 10.1016/j.ejmech.2011.08.031 BindingDB Entry DOI: 10.7270/Q2PV6KRM
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50353855 (CHEMBL1831166 | US9604926, Compound CM-361 | US972...) Show SMILES COc1cc2CCN(CCCCn3cc(-c4ccc(F)cc4)c4ccccc34)Cc2cc1OC Show InChI InChI=1S/C29H31FN2O2/c1-33-28-17-22-13-16-31(19-23(22)18-29(28)34-2)14-5-6-15-32-20-26(21-9-11-24(30)12-10-21)25-7-3-4-8-27(25)32/h3-4,7-12,17-18,20H,5-6,13-16,19H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.51E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HEK cells				Eur J Med Chem 46: 5154-61 (2011) Article DOI: 10.1016/j.ejmech.2011.08.031 BindingDB Entry DOI: 10.7270/Q2PV6KRM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50493001 (CHEMBL2413877) Show SMILES CN(CCc1ccccc1)[C@H]1CCCC[C@@H]1OCCCc1ccccc1 |r| Show InChI InChI=1S/C24H33NO/c1-25(19-18-22-13-6-3-7-14-22)23-16-8-9-17-24(23)26-20-10-15-21-11-4-2-5-12-21/h2-7,11-14,23-24H,8-10,15-20H2,1H3/t23-,24-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells after 120 mins by liquid scintillation counting				Bioorg Med Chem 21: 4923-7 (2013) Article DOI: 10.1016/j.bmc.2013.06.068 BindingDB Entry DOI: 10.7270/Q2TM7F26
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50492999 (CHEMBL2413879) Show SMILES CN(CCCc1ccccc1)[C@H]1CCCC[C@@H]1OCCCc1ccccc1 |r| Show InChI InChI=1S/C25H35NO/c1-26(20-10-16-22-12-4-2-5-13-22)24-18-8-9-19-25(24)27-21-11-17-23-14-6-3-7-15-23/h2-7,12-15,24-25H,8-11,16-21H2,1H3/t24-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells after 120 mins by liquid scintillation counting				Bioorg Med Chem 21: 4923-7 (2013) Article DOI: 10.1016/j.bmc.2013.06.068 BindingDB Entry DOI: 10.7270/Q2TM7F26
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50493002 (CHEMBL2413795) Show SMILES CN(C)[C@H]1CCCC[C@@H]1OCCCc1ccccc1 |r| Show InChI InChI=1S/C17H27NO/c1-18(2)16-12-6-7-13-17(16)19-14-8-11-15-9-4-3-5-10-15/h3-5,9-10,16-17H,6-8,11-14H2,1-2H3/t16-,17-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells after 120 mins by liquid scintillation counting				Bioorg Med Chem 21: 4923-7 (2013) Article DOI: 10.1016/j.bmc.2013.06.068 BindingDB Entry DOI: 10.7270/Q2TM7F26
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50353855 (CHEMBL1831166 | US9604926, Compound CM-361 | US972...) Show SMILES COc1cc2CCN(CCCCn3cc(-c4ccc(F)cc4)c4ccccc34)Cc2cc1OC Show InChI InChI=1S/C29H31FN2O2/c1-33-28-17-22-13-16-31(19-23(22)18-29(28)34-2)14-5-6-15-32-20-26(21-9-11-24(30)12-10-21)25-7-3-4-8-27(25)32/h3-4,7-12,17-18,20H,5-6,13-16,19H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.95E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of (-)-[3H]pentazocine from sigma 1 receptor in rat brain membrane after 120 mins				Eur J Med Chem 46: 5154-61 (2011) Article DOI: 10.1016/j.ejmech.2011.08.031 BindingDB Entry DOI: 10.7270/Q2PV6KRM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50492999 (CHEMBL2413879) Show SMILES CN(CCCc1ccccc1)[C@H]1CCCC[C@@H]1OCCCc1ccccc1 |r| Show InChI InChI=1S/C25H35NO/c1-26(20-10-16-22-12-4-2-5-13-22)24-18-8-9-19-25(24)27-21-11-17-23-14-6-3-7-15-23/h2-7,12-15,24-25H,8-11,16-21H2,1H3/t24-,25-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells after 120 mins by liquid scintillation counting				Bioorg Med Chem 21: 4923-7 (2013) Article DOI: 10.1016/j.bmc.2013.06.068 BindingDB Entry DOI: 10.7270/Q2TM7F26
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50492998 (CHEMBL2413796) Show SMILES CN(C)[C@H]1CCCC[C@@H]1OC\C=C\c1ccccc1 |r| Show InChI InChI=1S/C17H25NO/c1-18(2)16-12-6-7-13-17(16)19-14-8-11-15-9-4-3-5-10-15/h3-5,8-11,16-17H,6-7,12-14H2,1-2H3/b11-8+/t16-,17-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells after 120 mins by liquid scintillation counting				Bioorg Med Chem 21: 4923-7 (2013) Article DOI: 10.1016/j.bmc.2013.06.068 BindingDB Entry DOI: 10.7270/Q2TM7F26
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50353855 (CHEMBL1831166 | US9604926, Compound CM-361 | US972...) Show SMILES COc1cc2CCN(CCCCn3cc(-c4ccc(F)cc4)c4ccccc34)Cc2cc1OC Show InChI InChI=1S/C29H31FN2O2/c1-33-28-17-22-13-16-31(19-23(22)18-29(28)34-2)14-5-6-15-32-20-26(21-9-11-24(30)12-10-21)25-7-3-4-8-27(25)32/h3-4,7-12,17-18,20H,5-6,13-16,19H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human DAT expressed in HEK293 cells				Eur J Med Chem 46: 5154-61 (2011) Article DOI: 10.1016/j.ejmech.2011.08.031 BindingDB Entry DOI: 10.7270/Q2PV6KRM
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50492999 (CHEMBL2413879) Show SMILES CN(CCCc1ccccc1)[C@H]1CCCC[C@@H]1OCCCc1ccccc1 |r| Show InChI InChI=1S/C25H35NO/c1-26(20-10-16-22-12-4-2-5-13-22)24-18-8-9-19-25(24)27-21-11-17-23-14-6-3-7-15-23/h2-7,12-15,24-25H,8-11,16-21H2,1H3/t24-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from human delta opioid receptor expressed in CHO cells after 120 mins by liquid scintillation counting				Bioorg Med Chem 21: 4923-7 (2013) Article DOI: 10.1016/j.bmc.2013.06.068 BindingDB Entry DOI: 10.7270/Q2TM7F26
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50493002 (CHEMBL2413795) Show SMILES CN(C)[C@H]1CCCC[C@@H]1OCCCc1ccccc1 |r| Show InChI InChI=1S/C17H27NO/c1-18(2)16-12-6-7-13-17(16)19-14-8-11-15-9-4-3-5-10-15/h3-5,9-10,16-17H,6-8,11-14H2,1-2H3/t16-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from human delta opioid receptor expressed in CHO cells after 120 mins by liquid scintillation counting				Bioorg Med Chem 21: 4923-7 (2013) Article DOI: 10.1016/j.bmc.2013.06.068 BindingDB Entry DOI: 10.7270/Q2TM7F26
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50492997 (CHEMBL2413876) Show SMILES CN(CCc1ccccc1)[C@H]1CCCC[C@@H]1O |r| Show InChI InChI=1S/C15H23NO/c1-16(14-9-5-6-10-15(14)17)12-11-13-7-3-2-4-8-13/h2-4,7-8,14-15,17H,5-6,9-12H2,1H3/t14-,15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells after 120 mins by liquid scintillation counting				Bioorg Med Chem 21: 4923-7 (2013) Article DOI: 10.1016/j.bmc.2013.06.068 BindingDB Entry DOI: 10.7270/Q2TM7F26
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50492997 (CHEMBL2413876) Show SMILES CN(CCc1ccccc1)[C@H]1CCCC[C@@H]1O |r| Show InChI InChI=1S/C15H23NO/c1-16(14-9-5-6-10-15(14)17)12-11-13-7-3-2-4-8-13/h2-4,7-8,14-15,17H,5-6,9-12H2,1H3/t14-,15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from human delta opioid receptor expressed in CHO cells after 120 mins by liquid scintillation counting				Bioorg Med Chem 21: 4923-7 (2013) Article DOI: 10.1016/j.bmc.2013.06.068 BindingDB Entry DOI: 10.7270/Q2TM7F26
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50492998 (CHEMBL2413796) Show SMILES CN(C)[C@H]1CCCC[C@@H]1OC\C=C\c1ccccc1 |r| Show InChI InChI=1S/C17H25NO/c1-18(2)16-12-6-7-13-17(16)19-14-8-11-15-9-4-3-5-10-15/h3-5,8-11,16-17H,6-7,12-14H2,1-2H3/b11-8+/t16-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from human delta opioid receptor expressed in CHO cells after 120 mins by liquid scintillation counting				Bioorg Med Chem 21: 4923-7 (2013) Article DOI: 10.1016/j.bmc.2013.06.068 BindingDB Entry DOI: 10.7270/Q2TM7F26
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50493002 (CHEMBL2413795) Show SMILES CN(C)[C@H]1CCCC[C@@H]1OCCCc1ccccc1 |r| Show InChI InChI=1S/C17H27NO/c1-18(2)16-12-6-7-13-17(16)19-14-8-11-15-9-4-3-5-10-15/h3-5,9-10,16-17H,6-8,11-14H2,1-2H3/t16-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells after 120 mins by liquid scintillation counting				Bioorg Med Chem 21: 4923-7 (2013) Article DOI: 10.1016/j.bmc.2013.06.068 BindingDB Entry DOI: 10.7270/Q2TM7F26
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50493001 (CHEMBL2413877) Show SMILES CN(CCc1ccccc1)[C@H]1CCCC[C@@H]1OCCCc1ccccc1 |r| Show InChI InChI=1S/C24H33NO/c1-25(19-18-22-13-6-3-7-14-22)23-16-8-9-17-24(23)26-20-10-15-21-11-4-2-5-12-21/h2-7,11-14,23-24H,8-10,15-20H2,1H3/t23-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from human delta opioid receptor expressed in CHO cells after 120 mins by liquid scintillation counting				Bioorg Med Chem 21: 4923-7 (2013) Article DOI: 10.1016/j.bmc.2013.06.068 BindingDB Entry DOI: 10.7270/Q2TM7F26
					More data for this Ligand-Target Pair

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