Compile Data Set for Download or QSAR

Found 300 hits with Last Name = 'cobos' and Initial = 'ej'   

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 (Cavia porcellus (Guinea pig))	BDBM50001019 (6,11-Dimethyl-3-phenethyl-1,2,3,4,5,6-hexahydro-2,...) Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CCc1ccccc1 |TLB:16:15:1:10.4.3| Show InChI InChI=1S/C22H27NO/c1-16-21-14-18-8-9-19(24)15-20(18)22(16,2)11-13-23(21)12-10-17-6-4-3-5-7-17/h3-9,15-16,21,24H,10-14H2,1-2H3/t16-,21+,22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocin from sigma1 receptor in guinea pig brain P2 membranes after 120 mins				Eur J Med Chem 125: 603-610 (2017) Article DOI: 10.1016/j.ejmech.2016.09.077 BindingDB Entry DOI: 10.7270/Q2J38VTR
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50000296 (CHEMBL441765 | CHEMBL482811 | U-50488H | US1149237...) Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-U69,593 from KOR in guinea pig brain membranes incubated for 30 mins by liquid scintillation counting				ACS Med Chem Lett 11: 678-685 (2020) Article DOI: 10.1021/acsmedchemlett.9b00549 BindingDB Entry DOI: 10.7270/Q2Q81HMJ
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50370067 (CHEMBL1237164) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |r,TLB:28:29:7.12.13:4.5.18,30:29:7.12.13:4.5.18| Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24+,25+,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.830	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from DOR in rat brain membranes incubated for 45 mins by liquid scintillation counting				ACS Med Chem Lett 11: 678-685 (2020) Article DOI: 10.1021/acsmedchemlett.9b00549 BindingDB Entry DOI: 10.7270/Q2Q81HMJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM21015 ((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...) Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from MOR in rat brain membranes incubated for 45 mins by liquid scintillation counting				ACS Med Chem Lett 11: 678-685 (2020) Article DOI: 10.1021/acsmedchemlett.9b00549 BindingDB Entry DOI: 10.7270/Q2Q81HMJ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50000296 (CHEMBL441765 | CHEMBL482811 | U-50488H | US1149237...) Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.114091 BindingDB Entry DOI: 10.7270/Q24J0K46
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50251222 (CHEMBL4076606) Show SMILES CCOC(=O)[C@@]1(C[C@@H]1CN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccccc1 |r| Show InChI InChI=1S/C24H28ClNO3/c1-2-29-22(27)24(19-6-4-3-5-7-19)16-20(24)17-26-14-12-23(28,13-15-26)18-8-10-21(25)11-9-18/h3-11,20,28H,2,12-17H2,1H3/t20-,24+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze del Farmaco, Università di Catania , Viale A. Doria 6, 95125 Catania, Italy. Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting method				J Med Chem 61: 372-384 (2018) Article DOI: 10.1021/acs.jmedchem.7b01584 BindingDB Entry DOI: 10.7270/Q2319Z9X
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM21015 ((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...) Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.114091 BindingDB Entry DOI: 10.7270/Q24J0K46
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (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 Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze del Farmaco, Università di Catania , Viale A. Doria 6, 95125 Catania, Italy. Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from dopamine D2 receptor in rat strriatum after 15 mins by liquid scintillation counting method				J Med Chem 61: 372-384 (2018) Article DOI: 10.1021/acs.jmedchem.7b01584 BindingDB Entry DOI: 10.7270/Q2319Z9X
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membranes after 150 mins				J Med Chem 54: 3669-73 (2011) Article DOI: 10.1021/jm200144j BindingDB Entry DOI: 10.7270/Q2V988D6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze del Farmaco, Università di Catania , Viale A. Doria 6, 95125 Catania, Italy. Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting method				J Med Chem 61: 372-384 (2018) Article DOI: 10.1021/acs.jmedchem.7b01584 BindingDB Entry DOI: 10.7270/Q2319Z9X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50064946 (4-(4-Chloro-phenyl)-1-[4-(4-fluoro-phenyl)-4-hydro...) Show SMILES OC(CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C21H25ClFNO2/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/h3-10,20,25-26H,1-2,11-15H2	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.114091 BindingDB Entry DOI: 10.7270/Q24J0K46
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50370067 (CHEMBL1237164) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |r,TLB:28:29:7.12.13:4.5.18,30:29:7.12.13:4.5.18| Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24+,25+,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.114091 BindingDB Entry DOI: 10.7270/Q24J0K46
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-PTZ from sigma1 receptor in guinea pig brain membranes after 150 mins in presence of DPH solvent by liquid scintillation countin...				Eur J Med Chem 125: 603-610 (2017) Article DOI: 10.1016/j.ejmech.2016.09.077 BindingDB Entry DOI: 10.7270/Q2J38VTR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.114091 BindingDB Entry DOI: 10.7270/Q24J0K46
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-PTZ from sigma1 receptor in guinea pig brain membranes after 150 mins in presence of 250 uM DPH by liquid scintillation counting...				Eur J Med Chem 125: 603-610 (2017) Article DOI: 10.1016/j.ejmech.2016.09.077 BindingDB Entry DOI: 10.7270/Q2J38VTR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50064946 (4-(4-Chloro-phenyl)-1-[4-(4-fluoro-phenyl)-4-hydro...) Show SMILES OC(CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C21H25ClFNO2/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/h3-10,20,25-26H,1-2,11-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.114091 BindingDB Entry DOI: 10.7270/Q24J0K46
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50587822 (CHEMBL5186915) Show SMILES [H][C@@]12CN(Cc3ccccc3)C[C@@]1([H])n1nnc(c1CO2)-c1cccc(F)c1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00244 BindingDB Entry DOI: 10.7270/Q2J1074M
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-PTZ from sigma1 receptor in guinea pig brain membranes after 150 mins in presence of 1 mM DPH by liquid scintillation counting m...				Eur J Med Chem 125: 603-610 (2017) Article DOI: 10.1016/j.ejmech.2016.09.077 BindingDB Entry DOI: 10.7270/Q2J38VTR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50001043 (6,11-Dimethyl-3-phenethyl-1,2,3,4,5,6-hexahydro-2,...) Show SMILES C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCc1ccccc1 |TLB:16:15:1:10.4.3| Show InChI InChI=1S/C22H27NO/c1-16-21-14-18-8-9-19(24)15-20(18)22(16,2)11-13-23(21)12-10-17-6-4-3-5-7-17/h3-9,15-16,21,24H,10-14H2,1-2H3/t16-,21+,22-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-PTZ from sigma1 receptor in guinea pig brain membranes after 150 mins in presence of 1 mM DPH by liquid scintillation counting m...				Eur J Med Chem 125: 603-610 (2017) Article DOI: 10.1016/j.ejmech.2016.09.077 BindingDB Entry DOI: 10.7270/Q2J38VTR
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50001043 (6,11-Dimethyl-3-phenethyl-1,2,3,4,5,6-hexahydro-2,...) Show SMILES C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCc1ccccc1 |TLB:16:15:1:10.4.3| Show InChI InChI=1S/C22H27NO/c1-16-21-14-18-8-9-19(24)15-20(18)22(16,2)11-13-23(21)12-10-17-6-4-3-5-7-17/h3-9,15-16,21,24H,10-14H2,1-2H3/t16-,21+,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H] DAMGO from mu opioid receptor in Sprague-Dawley rat whole brain membranes after 2.5 hrs by liquid scintillation method				Eur J Med Chem 125: 603-610 (2017) Article DOI: 10.1016/j.ejmech.2016.09.077 BindingDB Entry DOI: 10.7270/Q2J38VTR
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50001043 (6,11-Dimethyl-3-phenethyl-1,2,3,4,5,6-hexahydro-2,...) Show SMILES C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCc1ccccc1 |TLB:16:15:1:10.4.3| Show InChI InChI=1S/C22H27NO/c1-16-21-14-18-8-9-19(24)15-20(18)22(16,2)11-13-23(21)12-10-17-6-4-3-5-7-17/h3-9,15-16,21,24H,10-14H2,1-2H3/t16-,21+,22-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-PTZ from sigma1 receptor in guinea pig brain membranes after 150 mins by liquid scintillation counting method				Eur J Med Chem 125: 603-610 (2017) Article DOI: 10.1016/j.ejmech.2016.09.077 BindingDB Entry DOI: 10.7270/Q2J38VTR
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50343610 ((+)-methyl(1R,2S)-2-{[4-(4-chlorophenyl)-4-hydroxy...) Show SMILES COC(=O)[C@@]1(C[C@@H]1CN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccccc1 |r| Show InChI InChI=1S/C23H26ClNO3/c1-28-21(26)23(18-5-3-2-4-6-18)15-19(23)16-25-13-11-22(27,12-14-25)17-7-9-20(24)10-8-17/h2-10,19,27H,11-16H2,1H3/t19-,23+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.95	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membranes after 150 mins				J Med Chem 54: 3669-73 (2011) Article DOI: 10.1021/jm200144j BindingDB Entry DOI: 10.7270/Q2V988D6
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50001028 ((+)-PENTAZOCINE | (-)-pentazocine | (2R,6R,11R)-6,...) Show SMILES [#6]-[#6@H]1-[#6@H]-2-[#6]-c3ccc(-[#8])cc3[C@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](\[#6])-[#6] |r,TLB:16:15:1:3.4.10| Show InChI InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.114091 BindingDB Entry DOI: 10.7270/Q24J0K46
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50251208 (CHEMBL4088272) Show SMILES CCCN1CCC=C(C1)c1cc(no1)-c1ccc(C)cc1 |c:6| Show InChI InChI=1S/C18H22N2O/c1-3-10-20-11-4-5-16(13-20)18-12-17(19-21-18)15-8-6-14(2)7-9-15/h5-9,12H,3-4,10-11,13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze del Farmaco, Università di Catania , Viale A. Doria 6, 95125 Catania, Italy. Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting method				J Med Chem 61: 372-384 (2018) Article DOI: 10.1021/acs.jmedchem.7b01584 BindingDB Entry DOI: 10.7270/Q2319Z9X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50001043 (6,11-Dimethyl-3-phenethyl-1,2,3,4,5,6-hexahydro-2,...) Show SMILES C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCc1ccccc1 |TLB:16:15:1:10.4.3| Show InChI InChI=1S/C22H27NO/c1-16-21-14-18-8-9-19(24)15-20(18)22(16,2)11-13-23(21)12-10-17-6-4-3-5-7-17/h3-9,15-16,21,24H,10-14H2,1-2H3/t16-,21+,22-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-PTZ from sigma1 receptor in guinea pig brain membranes after 150 mins in presence of 1 mM DPH by liquid scintillation counting m...				Eur J Med Chem 125: 603-610 (2017) Article DOI: 10.1016/j.ejmech.2016.09.077 BindingDB Entry DOI: 10.7270/Q2J38VTR
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50343612 ((+)-Methyl(1R,2S)-2-[(4-Hydroxy-4-phenylpiperidin-...) Show SMILES COC(=O)[C@@]1(C[C@@H]1CN1CCC(O)(CC1)c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C23H27NO3/c1-27-21(25)23(19-10-6-3-7-11-19)16-20(23)17-24-14-12-22(26,13-15-24)18-8-4-2-5-9-18/h2-11,20,26H,12-17H2,1H3/t20-,23+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.02	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membranes after 150 mins				J Med Chem 54: 3669-73 (2011) Article DOI: 10.1021/jm200144j BindingDB Entry DOI: 10.7270/Q2V988D6
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50335605 ((+/-)-4-[4-(4-Chlorophenyl)-4-hydroxypiperidin-1-y...) Show SMILES OC1(CCN(CCCC(OC(=O)CCCc2ccccc2)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C31H35ClFNO3/c32-27-15-13-26(14-16-27)31(36)19-22-34(23-20-31)21-5-9-29(25-11-17-28(33)18-12-25)37-30(35)10-4-8-24-6-2-1-3-7-24/h1-3,6-7,11-18,29,36H,4-5,8-10,19-23H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membranes after 150 mins				J Med Chem 54: 3669-73 (2011) Article DOI: 10.1021/jm200144j BindingDB Entry DOI: 10.7270/Q2V988D6
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50251204 (CHEMBL4075591) Show SMILES COC(=O)C1(CC1CN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccccc1 Show InChI InChI=1S/C23H26ClNO3/c1-28-21(26)23(18-5-3-2-4-6-18)15-19(23)16-25-13-11-22(27,12-14-25)17-7-9-20(24)10-8-17/h2-10,19,27H,11-16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze del Farmaco, Università di Catania , Viale A. Doria 6, 95125 Catania, Italy. Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting method				J Med Chem 61: 372-384 (2018) Article DOI: 10.1021/acs.jmedchem.7b01584 BindingDB Entry DOI: 10.7270/Q2319Z9X
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50343611 ((-)-(1S,2R)-methyl 2-((4-(4-chlorophenyl)-4-hydrox...) Show SMILES COC(=O)[C@]1(C[C@H]1CN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccccc1 |r| Show InChI InChI=1S/C23H26ClNO3/c1-28-21(26)23(18-5-3-2-4-6-18)15-19(23)16-25-13-11-22(27,12-14-25)17-7-9-20(24)10-8-17/h2-10,19,27H,11-16H2,1H3/t19-,23+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membranes after 150 mins				J Med Chem 54: 3669-73 (2011) Article DOI: 10.1021/jm200144j BindingDB Entry DOI: 10.7270/Q2V988D6
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50587820 (CHEMBL5189328) Show SMILES [H][C@@]12CN(CCCCC)C[C@@]1([H])n1nnc(c1CO2)-c1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00244 BindingDB Entry DOI: 10.7270/Q2J1074M
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50250253 (CHEMBL4080696) Show SMILES Fc1ccc(cc1)C(=O)NC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C19H21FN2O/c20-17-8-6-16(7-9-17)19(23)21-18-10-12-22(13-11-18)14-15-4-2-1-3-5-15/h1-9,18H,10-14H2,(H,21,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.114091 BindingDB Entry DOI: 10.7270/Q24J0K46
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50250253 (CHEMBL4080696) Show SMILES Fc1ccc(cc1)C(=O)NC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C19H21FN2O/c20-17-8-6-16(7-9-17)19(23)21-18-10-12-22(13-11-18)14-15-4-2-1-3-5-15/h1-9,18H,10-14H2,(H,21,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.114091 BindingDB Entry DOI: 10.7270/Q24J0K46
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50540611 (CHEMBL4643466) Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCN(C)c1ccccc1 |r,TLB:16:15:1:4.10.3| Show InChI InChI=1S/C23H30N2O/c1-17-22-15-18-9-10-20(26)16-21(18)23(17,2)11-12-25(22)14-13-24(3)19-7-5-4-6-8-19/h4-10,16-17,22,26H,11-15H2,1-3H3/t17-,22+,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from MOR in rat brain membranes incubated for 45 mins by liquid scintillation counting				ACS Med Chem Lett 11: 678-685 (2020) Article DOI: 10.1021/acsmedchemlett.9b00549 BindingDB Entry DOI: 10.7270/Q2Q81HMJ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50251212 (CHEMBL4076839) Show SMILES CC(C)OC(=O)[C@]1(C[C@@H]1CN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccccc1 |r| Show InChI InChI=1S/C25H30ClNO3/c1-18(2)30-23(28)25(20-6-4-3-5-7-20)16-21(25)17-27-14-12-24(29,13-15-27)19-8-10-22(26)11-9-19/h3-11,18,21,29H,12-17H2,1-2H3/t21-,25-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze del Farmaco, Università di Catania , Viale A. Doria 6, 95125 Catania, Italy. Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting method				J Med Chem 61: 372-384 (2018) Article DOI: 10.1021/acs.jmedchem.7b01584 BindingDB Entry DOI: 10.7270/Q2319Z9X
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50343613 ((-)-Methyl(1S,2R)-2-[(4-Hydroxy-4-phenylpiperidin-...) Show SMILES COC(=O)[C@]1(C[C@H]1CN1CCC(O)(CC1)c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C23H27NO3/c1-27-21(25)23(19-10-6-3-7-11-19)16-20(23)17-24-14-12-22(26,13-15-24)18-8-4-2-5-9-18/h2-11,20,26H,12-17H2,1H3/t20-,23+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.01	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membranes after 150 mins				J Med Chem 54: 3669-73 (2011) Article DOI: 10.1021/jm200144j BindingDB Entry DOI: 10.7270/Q2V988D6
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50540598 (CHEMBL4633897) Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCC(=O)Nc1c(C)cccc1C |r,TLB:16:15:1:4.10.3| Show InChI InChI=1S/C25H32N2O2/c1-16-6-5-7-17(2)24(16)26-23(29)10-12-27-13-11-25(4)18(3)22(27)14-19-8-9-20(28)15-21(19)25/h5-9,15,18,22,28H,10-14H2,1-4H3,(H,26,29)/t18-,22+,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from MOR in rat brain membranes incubated for 45 mins by liquid scintillation counting				ACS Med Chem Lett 11: 678-685 (2020) Article DOI: 10.1021/acsmedchemlett.9b00549 BindingDB Entry DOI: 10.7270/Q2Q81HMJ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50540602 (CHEMBL4642448) Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCC(=O)Nc1cc(C)ccc1C |r,TLB:16:15:1:4.10.3| Show InChI InChI=1S/C25H32N2O2/c1-16-5-6-17(2)22(13-16)26-24(29)9-11-27-12-10-25(4)18(3)23(27)14-19-7-8-20(28)15-21(19)25/h5-8,13,15,18,23,28H,9-12,14H2,1-4H3,(H,26,29)/t18-,23+,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from MOR in rat brain membranes incubated for 45 mins by liquid scintillation counting				ACS Med Chem Lett 11: 678-685 (2020) Article DOI: 10.1021/acsmedchemlett.9b00549 BindingDB Entry DOI: 10.7270/Q2Q81HMJ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50587821 (CHEMBL5197005) Show SMILES [H][C@@]12CN(Cc3ccccc3)C[C@@]1([H])n1nnc(c1CO2)-c1ccccc1F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00244 BindingDB Entry DOI: 10.7270/Q2J1074M
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50587850 (CHEMBL5191799) Show SMILES Cl.Cl.[H][C@@]12CNC[C@@]1([H])n1nnc(c1CO2)-c1ccccc1F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00244 BindingDB Entry DOI: 10.7270/Q2J1074M
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50251205 (CHEMBL4070836) Show SMILES COC(=O)[C@@]1(C[C@H]1CN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccccc1 |r| Show InChI InChI=1S/C23H26ClNO3/c1-28-21(26)23(18-5-3-2-4-6-18)15-19(23)16-25-13-11-22(27,12-14-25)17-7-9-20(24)10-8-17/h2-10,19,27H,11-16H2,1H3/t19-,23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze del Farmaco, Università di Catania , Viale A. Doria 6, 95125 Catania, Italy. Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting method				J Med Chem 61: 372-384 (2018) Article DOI: 10.1021/acs.jmedchem.7b01584 BindingDB Entry DOI: 10.7270/Q2319Z9X
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50587839 (CHEMBL5181214) Show SMILES [H][C@@]12CN(Cc3ccc(OC)nc3)C[C@@]1([H])n1nnc(c1CO2)-c1cccc(F)c1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00244 BindingDB Entry DOI: 10.7270/Q2J1074M
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50251210 (CHEMBL4061036) Show SMILES CCCOC(=O)[C@@]1(C[C@H]1CN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccccc1 |r| Show InChI InChI=1S/C25H30ClNO3/c1-2-16-30-23(28)25(20-6-4-3-5-7-20)17-21(25)18-27-14-12-24(29,13-15-27)19-8-10-22(26)11-9-19/h3-11,21,29H,2,12-18H2,1H3/t21-,25-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze del Farmaco, Università di Catania , Viale A. Doria 6, 95125 Catania, Italy. Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting method				J Med Chem 61: 372-384 (2018) Article DOI: 10.1021/acs.jmedchem.7b01584 BindingDB Entry DOI: 10.7270/Q2319Z9X
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50587848 (CHEMBL5209229) Show SMILES [H][C@]12CN(C[C@]1([H])n1nnc(c1CO2)-c1ccc(F)cc1Cl)C1CCOCC1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00244 BindingDB Entry DOI: 10.7270/Q2J1074M
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50251220 (CHEMBL4091621) Show SMILES CCCOC(=O)[C@]1(C[C@@H]1CN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccccc1 |r| Show InChI InChI=1S/C25H30ClNO3/c1-2-16-30-23(28)25(20-6-4-3-5-7-20)17-21(25)18-27-14-12-24(29,13-15-27)19-8-10-22(26)11-9-19/h3-11,21,29H,2,12-18H2,1H3/t21-,25-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze del Farmaco, Università di Catania , Viale A. Doria 6, 95125 Catania, Italy. Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting method				J Med Chem 61: 372-384 (2018) Article DOI: 10.1021/acs.jmedchem.7b01584 BindingDB Entry DOI: 10.7270/Q2319Z9X
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50251218 (CHEMBL4075797) Show SMILES CCCOC(=O)[C@@]1(C[C@@H]1CN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccccc1 |r| Show InChI InChI=1S/C25H30ClNO3/c1-2-16-30-23(28)25(20-6-4-3-5-7-20)17-21(25)18-27-14-12-24(29,13-15-27)19-8-10-22(26)11-9-19/h3-11,21,29H,2,12-18H2,1H3/t21-,25+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze del Farmaco, Università di Catania , Viale A. Doria 6, 95125 Catania, Italy. Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting method				J Med Chem 61: 372-384 (2018) Article DOI: 10.1021/acs.jmedchem.7b01584 BindingDB Entry DOI: 10.7270/Q2319Z9X
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50044725 (1-[2-(3,4-Dichloro-phenyl)-ethyl]-4-methyl-piperaz...) Show SMILES CN1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 Show InChI InChI=1S/C13H18Cl2N2/c1-16-6-8-17(9-7-16)5-4-11-2-3-12(14)13(15)10-11/h2-3,10H,4-9H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.114091 BindingDB Entry DOI: 10.7270/Q24J0K46
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50587844 (CHEMBL5193266) Show SMILES [H][C@@]12CN(CC3CCOCC3)C[C@@]1([H])n1nnc(c1CO2)-c1ccccc1F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00244 BindingDB Entry DOI: 10.7270/Q2J1074M
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50587824 (CHEMBL5188036) Show SMILES [H][C@]12CN(Cc3ccccc3)C[C@]1([H])n1nnc(c1CO2)-c1cccc(F)c1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00244 BindingDB Entry DOI: 10.7270/Q2J1074M
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50251204 (CHEMBL4075591) Show SMILES COC(=O)C1(CC1CN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccccc1 Show InChI InChI=1S/C23H26ClNO3/c1-28-21(26)23(18-5-3-2-4-6-18)15-19(23)16-25-13-11-22(27,12-14-25)17-7-9-20(24)10-8-17/h2-10,19,27H,11-16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	14.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze del Farmaco, Università di Catania , Viale A. Doria 6, 95125 Catania, Italy. Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting method				J Med Chem 61: 372-384 (2018) Article DOI: 10.1021/acs.jmedchem.7b01584 BindingDB Entry DOI: 10.7270/Q2319Z9X
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50251204 (CHEMBL4075591) Show SMILES COC(=O)C1(CC1CN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccccc1 Show InChI InChI=1S/C23H26ClNO3/c1-28-21(26)23(18-5-3-2-4-6-18)15-19(23)16-25-13-11-22(27,12-14-25)17-7-9-20(24)10-8-17/h2-10,19,27H,11-16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze del Farmaco, Università di Catania , Viale A. Doria 6, 95125 Catania, Italy. Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting method				J Med Chem 61: 372-384 (2018) Article DOI: 10.1021/acs.jmedchem.7b01584 BindingDB Entry DOI: 10.7270/Q2319Z9X
					More data for this Ligand-Target Pair

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