Compile Data Set for Download or QSAR

Found 357 hits with Last Name = 'sahn' and Initial = 'jj'   

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 (Homo sapiens (Human))	BDBM50232709 (CHEMBL4098442 | US11046670, Table 6.3) Show SMILES [H][C@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1cc(ccc21)N1CCN(CC1)C1CCCCC1 |r,TLB:19:18:2:5.6.7,8:5:2:23.18,THB:22:23:2:5.6.7| Show InChI InChI=1S/C29H37N3O2/c33-29(34-21-22-7-3-1-4-8-22)32-14-13-23-19-28(32)27-20-25(11-12-26(23)27)31-17-15-30(16-18-31)24-9-5-2-6-10-24/h1,3-4,7-8,11-12,20,23-24,28H,2,5-6,9-10,13-19,21H2/t23-,28-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2GF0XN4
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Homo sapiens (Human))	BDBM50232709 (CHEMBL4098442 | US11046670, Table 6.3) Show SMILES [H][C@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1cc(ccc21)N1CCN(CC1)C1CCCCC1 |r,TLB:19:18:2:5.6.7,8:5:2:23.18,THB:22:23:2:5.6.7| Show InChI InChI=1S/C29H37N3O2/c33-29(34-21-22-7-3-1-4-8-22)32-14-13-23-19-28(32)27-20-25(11-12-26(23)27)31-17-15-30(16-18-31)24-9-5-2-6-10-24/h1,3-4,7-8,11-12,20,23-24,28H,2,5-6,9-10,13-19,21H2/t23-,28-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2GF0XN4
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50370624 (CHEMBL4169752 | US10954217, Example 00234) Show SMILES C(N1CCc2cc(ccc2C1)N1CCOCC1)c1ccccc1 Show InChI InChI=1S/C20H24N2O/c1-2-4-17(5-3-1)15-21-9-8-18-14-20(7-6-19(18)16-21)22-10-12-23-13-11-22/h1-7,14H,8-13,15-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas at Austin Curated by ChEMBL					Assay Description Displacement of [3H]-Pentazocine from sigma1 receptor in guinea pig brain membrane by microbeta scintillation counting method				Eur J Med Chem 151: 557-567 (2018) Article DOI: 10.1016/j.ejmech.2018.02.024 BindingDB Entry DOI: 10.7270/Q28918FQ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50370624 (CHEMBL4169752 | US10954217, Example 00234) Show SMILES C(N1CCc2cc(ccc2C1)N1CCOCC1)c1ccccc1 Show InChI InChI=1S/C20H24N2O/c1-2-4-17(5-3-1)15-21-9-8-18-14-20(7-6-19(18)16-21)22-10-12-23-13-11-22/h1-7,14H,8-13,15-16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM US Patent					Assay Description TBD				US Patent US10954217 (2021) BindingDB Entry DOI: 10.7270/Q2JH3Q9M
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Homo sapiens (Human))	BDBM50232706 (CHEMBL4068690 | US11046670, Table 6.2) Show SMILES [H][C@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1cc(ccc21)N1CCN(CC1)C1CCCC1 |r,TLB:19:18:2:5.6.7,8:5:2:23.18,THB:22:23:2:5.6.7| Show InChI InChI=1S/C28H35N3O2/c32-28(33-20-21-6-2-1-3-7-21)31-13-12-22-18-27(31)26-19-24(10-11-25(22)26)30-16-14-29(15-17-30)23-8-4-5-9-23/h1-3,6-7,10-11,19,22-23,27H,4-5,8-9,12-18,20H2/t22-,27-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2GF0XN4
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Homo sapiens (Human))	BDBM50232706 (CHEMBL4068690 | US11046670, Table 6.2) Show SMILES [H][C@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1cc(ccc21)N1CCN(CC1)C1CCCC1 |r,TLB:19:18:2:5.6.7,8:5:2:23.18,THB:22:23:2:5.6.7| Show InChI InChI=1S/C28H35N3O2/c32-28(33-20-21-6-2-1-3-7-21)31-13-12-22-18-27(31)26-19-24(10-11-25(22)26)30-16-14-29(15-17-30)23-8-4-5-9-23/h1-3,6-7,10-11,19,22-23,27H,4-5,8-9,12-18,20H2/t22-,27-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2GF0XN4
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Homo sapiens (Human))	BDBM50370623 (CHEMBL4165863 | US10954217, Example 00237) Show SMILES O=C(OCc1ccccc1)N1CCc2ccc(cc2C1)N1CCN(CC1)C1CCCC1 Show InChI InChI=1S/C26H33N3O2/c30-26(31-20-21-6-2-1-3-7-21)29-13-12-22-10-11-25(18-23(22)19-29)28-16-14-27(15-17-28)24-8-4-5-9-24/h1-3,6-7,10-11,18,24H,4-5,8-9,12-17,19-20H2	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM US Patent					Assay Description TBD				US Patent US10954217 (2021) BindingDB Entry DOI: 10.7270/Q2JH3Q9M
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50370623 (CHEMBL4165863 | US10954217, Example 00237) Show SMILES O=C(OCc1ccccc1)N1CCc2ccc(cc2C1)N1CCN(CC1)C1CCCC1 Show InChI InChI=1S/C26H33N3O2/c30-26(31-20-21-6-2-1-3-7-21)29-13-12-22-10-11-25(18-23(22)19-29)28-16-14-27(15-17-28)24-8-4-5-9-24/h1-3,6-7,10-11,18,24H,4-5,8-9,12-17,19-20H2	UniProtKB/SwissProt GoogleScholar AffyNet	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
University of Texas at Austin Curated by ChEMBL					Assay Description Displacement of [3H]-ditolylguanidine from sigma2 receptor in rat PC12 cells by microbeta scintillation counting method				Eur J Med Chem 151: 557-567 (2018) Article DOI: 10.1016/j.ejmech.2018.02.024 BindingDB Entry DOI: 10.7270/Q28918FQ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50232718 (CHEMBL4096670) Show SMILES [H][C@]12C[C@@]([H])(N(CC1)S(=O)(=O)c1cc(Cl)cc(Cl)c1)c1ccc(cc21)N1CCN(C)CC1 |r,TLB:8:5:2:24.19,20:19:2:5.6.7,THB:23:24:2:5.6.7| Show InChI InChI=1S/C22H25Cl2N3O2S/c1-25-6-8-26(9-7-25)18-2-3-20-21(14-18)15-4-5-27(22(20)10-15)30(28,29)19-12-16(23)11-17(24)13-19/h2-3,11-15,22H,4-10H2,1H3/t15-,22-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Texas at Austin Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from guinea pig brain sigma1 receptor by PDSP assay				ACS Med Chem Lett 8: 455-460 (2017) Article DOI: 10.1021/acsmedchemlett.7b00066 BindingDB Entry DOI: 10.7270/Q21C2048
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50370680 (CHEMBL4172703) Show SMILES [H][C@@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1cc(ccc21)N1CCN(CC1)C1CCCC1 |r| Show InChI InChI=1S/C28H35N3O2/c32-28(33-20-21-6-2-1-3-7-21)31-13-12-22-18-27(31)26-19-24(10-11-25(22)26)30-16-14-29(15-17-30)23-8-4-5-9-23/h1-3,6-7,10-11,19,22-23,27H,4-5,8-9,12-18,20H2/t22-,27+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas at Austin Curated by ChEMBL					Assay Description Displacement of [3H]-ditolylguanidine from sigma2 receptor in rat PC12 cells by microbeta scintillation counting method				Eur J Med Chem 151: 557-567 (2018) Article DOI: 10.1016/j.ejmech.2018.02.024 BindingDB Entry DOI: 10.7270/Q28918FQ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50232702 (CHEMBL4095894) Show SMILES [H][C@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1ccc(cc21)N1CCN(CC1)C(C)C |r,TLB:19:18:2:5.6.7,8:5:2:23.18,THB:22:23:2:5.6.7| Show InChI InChI=1S/C26H33N3O2/c1-19(2)27-12-14-28(15-13-27)22-8-9-23-24(17-22)21-10-11-29(25(23)16-21)26(30)31-18-20-6-4-3-5-7-20/h3-9,17,19,21,25H,10-16,18H2,1-2H3/t21-,25-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Texas at Austin Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from guinea pig brain sigma1 receptor by PDSP assay				ACS Med Chem Lett 8: 455-460 (2017) Article DOI: 10.1021/acsmedchemlett.7b00066 BindingDB Entry DOI: 10.7270/Q21C2048
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50232706 (CHEMBL4068690 | US11046670, Table 6.2) Show SMILES [H][C@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1cc(ccc21)N1CCN(CC1)C1CCCC1 |r,TLB:19:18:2:5.6.7,8:5:2:23.18,THB:22:23:2:5.6.7| Show InChI InChI=1S/C28H35N3O2/c32-28(33-20-21-6-2-1-3-7-21)31-13-12-22-18-27(31)26-19-24(10-11-25(22)26)30-16-14-29(15-17-30)23-8-4-5-9-23/h1-3,6-7,10-11,19,22-23,27H,4-5,8-9,12-18,20H2/t22-,27-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Texas at Austin Curated by ChEMBL					Assay Description Displacement of [3H]-ditolylguanidine from sigma2 receptor in rat PC12 cells in presence of (+)-pentazocine by PDSP assay				ACS Med Chem Lett 8: 455-460 (2017) Article DOI: 10.1021/acsmedchemlett.7b00066 BindingDB Entry DOI: 10.7270/Q21C2048
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50370571 (CHEMBL4160064 | US10954217, Example 00236) Show SMILES COc1cccc(c1)-c1ccc2CN(Cc3ccccc3)CCc2c1 Show InChI InChI=1S/C23H23NO/c1-25-23-9-5-8-19(15-23)20-10-11-22-17-24(13-12-21(22)14-20)16-18-6-3-2-4-7-18/h2-11,14-15H,12-13,16-17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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 Texas at Austin Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from human dopamine D4 expressed in stable HEK cells after 90 mins by microbeta scintillation counting method				Eur J Med Chem 151: 557-567 (2018) Article DOI: 10.1016/j.ejmech.2018.02.024 BindingDB Entry DOI: 10.7270/Q28918FQ
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Homo sapiens (Human))	BDBM50232701 (CHEMBL4072304 | US11046670, Table 6.1) Show SMILES [H][C@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1cc(ccc21)N1CCN(CCC)CC1 |r,TLB:19:18:2:5.6.7,8:5:2:23.18,THB:22:23:2:5.6.7| Show InChI InChI=1S/C26H33N3O2/c1-2-11-27-13-15-28(16-14-27)22-8-9-23-21-10-12-29(25(17-21)24(23)18-22)26(30)31-19-20-6-4-3-5-7-20/h3-9,18,21,25H,2,10-17,19H2,1H3/t21-,25-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2GF0XN4
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Homo sapiens (Human))	BDBM50232701 (CHEMBL4072304 | US11046670, Table 6.1) Show SMILES [H][C@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1cc(ccc21)N1CCN(CCC)CC1 |r,TLB:19:18:2:5.6.7,8:5:2:23.18,THB:22:23:2:5.6.7| Show InChI InChI=1S/C26H33N3O2/c1-2-11-27-13-15-28(16-14-27)22-8-9-23-21-10-12-29(25(17-21)24(23)18-22)26(30)31-19-20-6-4-3-5-7-20/h3-9,18,21,25H,2,10-17,19H2,1H3/t21-,25-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2GF0XN4
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Homo sapiens (Human))	BDBM488134 (US10954217, Example Table 3.A16) Show SMILES O=C(OCc1ccccc1)N1CCc2ccc(cc2C1)N1CCN(CC1)C1CCCCC1 Show InChI InChI=1S/C27H35N3O2/c31-27(32-21-22-7-3-1-4-8-22)30-14-13-23-11-12-26(19-24(23)20-30)29-17-15-28(16-18-29)25-9-5-2-6-10-25/h1,3-4,7-8,11-12,19,25H,2,5-6,9-10,13-18,20-21H2	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM US Patent					Assay Description TBD				US Patent US10954217 (2021) BindingDB Entry DOI: 10.7270/Q2JH3Q9M
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50370603 (CHEMBL4167315 | US10954217, Example 00225) Show SMILES COc1cccc(c1)-c1ccc2CN(Cc3ccccc3)Cc2c1 Show InChI InChI=1S/C22H21NO/c1-24-22-9-5-8-18(13-22)19-10-11-20-15-23(16-21(20)12-19)14-17-6-3-2-4-7-17/h2-13H,14-16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas at Austin Curated by ChEMBL					Assay Description Displacement of [3H]-Pentazocine from sigma1 receptor in guinea pig brain membrane by microbeta scintillation counting method				Eur J Med Chem 151: 557-567 (2018) Article DOI: 10.1016/j.ejmech.2018.02.024 BindingDB Entry DOI: 10.7270/Q28918FQ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50370603 (CHEMBL4167315 | US10954217, Example 00225) Show SMILES COc1cccc(c1)-c1ccc2CN(Cc3ccccc3)Cc2c1 Show InChI InChI=1S/C22H21NO/c1-24-22-9-5-8-18(13-22)19-10-11-20-15-23(16-21(20)12-19)14-17-6-3-2-4-7-17/h2-13H,14-16H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM US Patent					Assay Description TBD				US Patent US10954217 (2021) BindingDB Entry DOI: 10.7270/Q2JH3Q9M
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50232721 (CHEMBL4094368) Show SMILES [H][C@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1ccc(cc21)N1CCN(CC1)C1CCCC1 |r,TLB:19:18:2:5.6.7,8:5:2:23.18,THB:22:23:2:5.6.7| Show InChI InChI=1S/C28H35N3O2/c32-28(33-20-21-6-2-1-3-7-21)31-13-12-22-18-27(31)25-11-10-24(19-26(22)25)30-16-14-29(15-17-30)23-8-4-5-9-23/h1-3,6-7,10-11,19,22-23,27H,4-5,8-9,12-18,20H2/t22-,27-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Texas at Austin Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from guinea pig brain sigma1 receptor by PDSP assay				ACS Med Chem Lett 8: 455-460 (2017) Article DOI: 10.1021/acsmedchemlett.7b00066 BindingDB Entry DOI: 10.7270/Q21C2048
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50370571 (CHEMBL4160064 | US10954217, Example 00236) Show SMILES COc1cccc(c1)-c1ccc2CN(Cc3ccccc3)CCc2c1 Show InChI InChI=1S/C23H23NO/c1-25-23-9-5-8-19(15-23)20-10-11-22-17-24(13-12-21(22)14-20)16-18-6-3-2-4-7-18/h2-11,14-15H,12-13,16-17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM US Patent					Assay Description TBD				US Patent US10954217 (2021) BindingDB Entry DOI: 10.7270/Q2JH3Q9M
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50370571 (CHEMBL4160064 | US10954217, Example 00236) Show SMILES COc1cccc(c1)-c1ccc2CN(Cc3ccccc3)CCc2c1 Show InChI InChI=1S/C23H23NO/c1-25-23-9-5-8-19(15-23)20-10-11-22-17-24(13-12-21(22)14-20)16-18-6-3-2-4-7-18/h2-11,14-15H,12-13,16-17H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas at Austin Curated by ChEMBL					Assay Description Displacement of [3H]-Pentazocine from sigma1 receptor in guinea pig brain membrane by microbeta scintillation counting method				Eur J Med Chem 151: 557-567 (2018) Article DOI: 10.1016/j.ejmech.2018.02.024 BindingDB Entry DOI: 10.7270/Q28918FQ
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50232722 (CHEMBL4071404) Show SMILES [H][C@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1ccc(cc21)N1CCN(CC1)C1CCCCC1 |r,TLB:19:18:2:5.6.7,8:5:2:23.18,THB:22:23:2:5.6.7| Show InChI InChI=1S/C29H37N3O2/c33-29(34-21-22-7-3-1-4-8-22)32-14-13-23-19-28(32)26-12-11-25(20-27(23)26)31-17-15-30(16-18-31)24-9-5-2-6-10-24/h1,3-4,7-8,11-12,20,23-24,28H,2,5-6,9-10,13-19,21H2/t23-,28-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Texas at Austin Curated by ChEMBL					Assay Description Displacement of [3H]-ditolylguanidine from sigma2 receptor in rat PC12 cells in presence of (+)-pentazocine by PDSP assay				ACS Med Chem Lett 8: 455-460 (2017) Article DOI: 10.1021/acsmedchemlett.7b00066 BindingDB Entry DOI: 10.7270/Q21C2048
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50232705 (CHEMBL4060037) Show SMILES [H][C@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1cc(ccc21)N1CCN(CC1)C1CCC1 |r,TLB:19:18:2:5.6.7,8:5:2:23.18,THB:22:23:2:5.6.7| Show InChI InChI=1S/C27H33N3O2/c31-27(32-19-20-5-2-1-3-6-20)30-12-11-21-17-26(30)25-18-23(9-10-24(21)25)29-15-13-28(14-16-29)22-7-4-8-22/h1-3,5-6,9-10,18,21-22,26H,4,7-8,11-17,19H2/t21-,26-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Texas at Austin Curated by ChEMBL					Assay Description Displacement of [3H]-ditolylguanidine from sigma2 receptor in rat PC12 cells in presence of (+)-pentazocine by PDSP assay				ACS Med Chem Lett 8: 455-460 (2017) Article DOI: 10.1021/acsmedchemlett.7b00066 BindingDB Entry DOI: 10.7270/Q21C2048
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50232701 (CHEMBL4072304 | US11046670, Table 6.1) Show SMILES [H][C@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1cc(ccc21)N1CCN(CCC)CC1 |r,TLB:19:18:2:5.6.7,8:5:2:23.18,THB:22:23:2:5.6.7| Show InChI InChI=1S/C26H33N3O2/c1-2-11-27-13-15-28(16-14-27)22-8-9-23-21-10-12-29(25(17-21)24(23)18-22)26(30)31-19-20-6-4-3-5-7-20/h3-9,18,21,25H,2,10-17,19H2,1H3/t21-,25-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Texas at Austin Curated by ChEMBL					Assay Description Displacement of [3H]-ditolylguanidine from sigma2 receptor in rat PC12 cells in presence of (+)-pentazocine by PDSP assay				ACS Med Chem Lett 8: 455-460 (2017) Article DOI: 10.1021/acsmedchemlett.7b00066 BindingDB Entry DOI: 10.7270/Q21C2048
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM507032 (US11046670, Compound 44) Show SMILES Cc1cccc(c1)-c1ccc2[C@H]3C[C@@H](N(Cc4ccc5OCOc5c4)CC3)c2c1 |r,TLB:28:27:26.14.25:12,15:14:10.27:12,THB:9:10:26.14.25:12| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Receptor binding assays were performed by the Psychoactive Drug Screening Program (PDSP) at Chapel Hill, N.C. The assay protocol book can be accessed...				Citation and Details BindingDB Entry DOI: 10.7270/Q2GF0XN4
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50232707 (CHEMBL4062762) Show SMILES [H][C@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1ccc(cc21)N1CCN(CC2CCCC2)CC1 |r,TLB:19:18:2:5.6.7,8:5:2:23.18,THB:22:23:2:5.6.7| Show InChI InChI=1S/C29H37N3O2/c33-29(34-21-23-8-2-1-3-9-23)32-13-12-24-18-28(32)26-11-10-25(19-27(24)26)31-16-14-30(15-17-31)20-22-6-4-5-7-22/h1-3,8-11,19,22,24,28H,4-7,12-18,20-21H2/t24-,28-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL 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
The University of Texas at Austin Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from guinea pig brain sigma1 receptor by PDSP assay				ACS Med Chem Lett 8: 455-460 (2017) Article DOI: 10.1021/acsmedchemlett.7b00066 BindingDB Entry DOI: 10.7270/Q21C2048
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50370662 (CHEMBL4161503 | US10954217, Example 00224) Show SMILES C(N1Cc2ccc(cc2C1)N1CCOCC1)c1ccccc1 Show InChI InChI=1S/C19H22N2O/c1-2-4-16(5-3-1)13-20-14-17-6-7-19(12-18(17)15-20)21-8-10-22-11-9-21/h1-7,12H,8-11,13-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM US Patent					Assay Description TBD				US Patent US10954217 (2021) BindingDB Entry DOI: 10.7270/Q2JH3Q9M
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50370662 (CHEMBL4161503 | US10954217, Example 00224) Show SMILES C(N1Cc2ccc(cc2C1)N1CCOCC1)c1ccccc1 Show InChI InChI=1S/C19H22N2O/c1-2-4-16(5-3-1)13-20-14-17-6-7-19(12-18(17)15-20)21-8-10-22-11-9-21/h1-7,12H,8-11,13-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas at Austin Curated by ChEMBL					Assay Description Displacement of [3H]-Pentazocine from sigma1 receptor in guinea pig brain membrane by microbeta scintillation counting method				Eur J Med Chem 151: 557-567 (2018) Article DOI: 10.1016/j.ejmech.2018.02.024 BindingDB Entry DOI: 10.7270/Q28918FQ
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Homo sapiens (Human))	BDBM507032 (US11046670, Compound 44) Show SMILES Cc1cccc(c1)-c1ccc2[C@H]3C[C@@H](N(Cc4ccc5OCOc5c4)CC3)c2c1 |r,TLB:28:27:26.14.25:12,15:14:10.27:12,THB:9:10:26.14.25:12| Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.08	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2GF0XN4
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50370661 (CHEMBL4175187 | US10954217, Example 00253) Show SMILES C(N1CCCc2cc(ccc2C1)N1CCOCC1)c1ccccc1 Show InChI InChI=1S/C21H26N2O/c1-2-5-18(6-3-1)16-22-10-4-7-19-15-21(9-8-20(19)17-22)23-11-13-24-14-12-23/h1-3,5-6,8-9,15H,4,7,10-14,16-17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas at Austin Curated by ChEMBL					Assay Description Displacement of [3H]-Pentazocine from sigma1 receptor in guinea pig brain membrane by microbeta scintillation counting method				Eur J Med Chem 151: 557-567 (2018) Article DOI: 10.1016/j.ejmech.2018.02.024 BindingDB Entry DOI: 10.7270/Q28918FQ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50370661 (CHEMBL4175187 | US10954217, Example 00253) Show SMILES C(N1CCCc2cc(ccc2C1)N1CCOCC1)c1ccccc1 Show InChI InChI=1S/C21H26N2O/c1-2-5-18(6-3-1)16-22-10-4-7-19-15-21(9-8-20(19)17-22)23-11-13-24-14-12-23/h1-3,5-6,8-9,15H,4,7,10-14,16-17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM US Patent					Assay Description TBD				US Patent US10954217 (2021) BindingDB Entry DOI: 10.7270/Q2JH3Q9M
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50232708 (CHEMBL4090715) Show SMILES [H][C@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1cc(ccc21)N1CCN(CC2CCCC2)CC1 |r,TLB:19:18:2:5.6.7,8:5:2:23.18,THB:22:23:2:5.6.7| Show InChI InChI=1S/C29H37N3O2/c33-29(34-21-23-8-2-1-3-9-23)32-13-12-24-18-28(32)27-19-25(10-11-26(24)27)31-16-14-30(15-17-31)20-22-6-4-5-7-22/h1-3,8-11,19,22,24,28H,4-7,12-18,20-21H2/t24-,28-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Texas at Austin Curated by ChEMBL					Assay Description Displacement of [3H]-ditolylguanidine from sigma2 receptor in rat PC12 cells in presence of (+)-pentazocine by PDSP assay				ACS Med Chem Lett 8: 455-460 (2017) Article DOI: 10.1021/acsmedchemlett.7b00066 BindingDB Entry DOI: 10.7270/Q21C2048
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Homo sapiens (Human))	BDBM50232746 (CHEMBL4063708 | US11046670, Compound 32) Show SMILES [H][C@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1cc(ccc21)N1CCN(C)CC1 |r,TLB:19:18:2:5.6.7,8:5:2:23.18,THB:22:23:2:5.6.7| Show InChI InChI=1S/C24H29N3O2/c1-25-11-13-26(14-12-25)20-7-8-21-19-9-10-27(23(15-19)22(21)16-20)24(28)29-17-18-5-3-2-4-6-18/h2-8,16,19,23H,9-15,17H2,1H3/t19-,23-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	7.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2GF0XN4
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Homo sapiens (Human))	BDBM50370518 (CHEMBL4176474 | US10954217, Example 00229) Show SMILES O=C(OCc1ccccc1)N1Cc2ccc(cc2C1)N1CCN(CC1)C1CCCC1 Show InChI InChI=1S/C25H31N3O2/c29-25(30-19-20-6-2-1-3-7-20)28-17-21-10-11-24(16-22(21)18-28)27-14-12-26(13-15-27)23-8-4-5-9-23/h1-3,6-7,10-11,16,23H,4-5,8-9,12-15,17-19H2	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	8.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM US Patent					Assay Description TBD				US Patent US10954217 (2021) BindingDB Entry DOI: 10.7270/Q2JH3Q9M
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50370518 (CHEMBL4176474 | US10954217, Example 00229) Show SMILES O=C(OCc1ccccc1)N1Cc2ccc(cc2C1)N1CCN(CC1)C1CCCC1 Show InChI InChI=1S/C25H31N3O2/c29-25(30-19-20-6-2-1-3-7-20)28-17-21-10-11-24(16-22(21)18-28)27-14-12-26(13-15-27)23-8-4-5-9-23/h1-3,6-7,10-11,16,23H,4-5,8-9,12-15,17-19H2	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas at Austin Curated by ChEMBL					Assay Description Displacement of [3H]-ditolylguanidine from sigma2 receptor in rat PC12 cells by microbeta scintillation counting method				Eur J Med Chem 151: 557-567 (2018) Article DOI: 10.1016/j.ejmech.2018.02.024 BindingDB Entry DOI: 10.7270/Q28918FQ
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50232702 (CHEMBL4095894) Show SMILES [H][C@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1ccc(cc21)N1CCN(CC1)C(C)C |r,TLB:19:18:2:5.6.7,8:5:2:23.18,THB:22:23:2:5.6.7| Show InChI InChI=1S/C26H33N3O2/c1-19(2)27-12-14-28(15-13-27)22-8-9-23-24(17-22)21-10-11-29(25(23)16-21)26(30)31-18-20-6-4-3-5-7-20/h3-9,17,19,21,25H,10-16,18H2,1-2H3/t21-,25-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	8.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Texas at Austin Curated by ChEMBL					Assay Description Displacement of [3H]-ditolylguanidine from sigma2 receptor in rat PC12 cells in presence of (+)-pentazocine by PDSP assay				ACS Med Chem Lett 8: 455-460 (2017) Article DOI: 10.1021/acsmedchemlett.7b00066 BindingDB Entry DOI: 10.7270/Q21C2048
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50232700 (CHEMBL4099261) Show SMILES [H][C@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1ccc(cc21)N1CCN(CCC)CC1 |r,TLB:19:18:2:5.6.7,8:5:2:23.18,THB:22:23:2:5.6.7| Show InChI InChI=1S/C26H33N3O2/c1-2-11-27-13-15-28(16-14-27)22-8-9-23-24(18-22)21-10-12-29(25(23)17-21)26(30)31-19-20-6-4-3-5-7-20/h3-9,18,21,25H,2,10-17,19H2,1H3/t21-,25-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Texas at Austin Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from guinea pig brain sigma1 receptor by PDSP assay				ACS Med Chem Lett 8: 455-460 (2017) Article DOI: 10.1021/acsmedchemlett.7b00066 BindingDB Entry DOI: 10.7270/Q21C2048
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50232728 (CHEMBL4074313) Show SMILES [H][C@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1cc(ccc21)N1CCN(CCC(=O)OC)CC1 |r,TLB:19:18:2:5.6.7,8:5:2:23.18,THB:22:23:2:5.6.7| Show InChI InChI=1S/C27H33N3O4/c1-33-26(31)10-11-28-13-15-29(16-14-28)22-7-8-23-21-9-12-30(25(17-21)24(23)18-22)27(32)34-19-20-5-3-2-4-6-20/h2-8,18,21,25H,9-17,19H2,1H3/t21-,25-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	8.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Texas at Austin Curated by ChEMBL					Assay Description Displacement of [3H]-ditolylguanidine from sigma2 receptor in rat PC12 cells in presence of (+)-pentazocine by PDSP assay				ACS Med Chem Lett 8: 455-460 (2017) Article DOI: 10.1021/acsmedchemlett.7b00066 BindingDB Entry DOI: 10.7270/Q21C2048
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50232704 (CHEMBL4081942) Show SMILES [H][C@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1ccc(cc21)N1CCN(CC1)C1CCC1 |r,TLB:19:18:2:5.6.7,8:5:2:23.18,THB:22:23:2:5.6.7| Show InChI InChI=1S/C27H33N3O2/c31-27(32-19-20-5-2-1-3-6-20)30-12-11-21-17-26(30)24-10-9-23(18-25(21)24)29-15-13-28(14-16-29)22-7-4-8-22/h1-3,5-6,9-10,18,21-22,26H,4,7-8,11-17,19H2/t21-,26-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Texas at Austin Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from guinea pig brain sigma1 receptor by PDSP assay				ACS Med Chem Lett 8: 455-460 (2017) Article DOI: 10.1021/acsmedchemlett.7b00066 BindingDB Entry DOI: 10.7270/Q21C2048
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50232717 (CHEMBL4102062) Show SMILES [H][C@]12C[C@@]([H])(N(Cc3ccccc3)CC1)c1ccc(cc21)-c1cccc(OC)c1 |r,TLB:16:15:2:5.13.14,6:5:2:20.15,THB:19:20:2:5.13.14| Show InChI InChI=1S/C25H25NO/c1-27-22-9-5-8-19(14-22)20-10-11-23-24(15-20)21-12-13-26(25(23)16-21)17-18-6-3-2-4-7-18/h2-11,14-15,21,25H,12-13,16-17H2,1H3/t21-,25-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Texas at Austin Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from guinea pig brain sigma1 receptor by PDSP assay				ACS Med Chem Lett 8: 455-460 (2017) Article DOI: 10.1021/acsmedchemlett.7b00066 BindingDB Entry DOI: 10.7270/Q21C2048
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50370930 (CHEMBL4167368) Show SMILES [H][C@@]12C[C@@]([H])(N(Cc3ccccc3)CC1)c1ccc(cc21)-c1cccc(OC)c1 |r| Show InChI InChI=1S/C25H25NO/c1-27-22-9-5-8-19(14-22)20-10-11-23-24(15-20)21-12-13-26(25(23)16-21)17-18-6-3-2-4-7-18/h2-11,14-15,21,25H,12-13,16-17H2,1H3/t21-,25+/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
University of Texas at Austin Curated by ChEMBL					Assay Description Displacement of [3H]-Pentazocine from sigma1 receptor in guinea pig brain membrane by microbeta scintillation counting method				Eur J Med Chem 151: 557-567 (2018) Article DOI: 10.1016/j.ejmech.2018.02.024 BindingDB Entry DOI: 10.7270/Q28918FQ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50232722 (CHEMBL4071404) Show SMILES [H][C@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1ccc(cc21)N1CCN(CC1)C1CCCCC1 |r,TLB:19:18:2:5.6.7,8:5:2:23.18,THB:22:23:2:5.6.7| Show InChI InChI=1S/C29H37N3O2/c33-29(34-21-22-7-3-1-4-8-22)32-14-13-23-19-28(32)26-12-11-25(20-27(23)26)31-17-15-30(16-18-31)24-9-5-2-6-10-24/h1,3-4,7-8,11-12,20,23-24,28H,2,5-6,9-10,13-19,21H2/t23-,28-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL 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
The University of Texas at Austin Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from guinea pig brain sigma1 receptor by PDSP assay				ACS Med Chem Lett 8: 455-460 (2017) Article DOI: 10.1021/acsmedchemlett.7b00066 BindingDB Entry DOI: 10.7270/Q21C2048
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50232721 (CHEMBL4094368) Show SMILES [H][C@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1ccc(cc21)N1CCN(CC1)C1CCCC1 |r,TLB:19:18:2:5.6.7,8:5:2:23.18,THB:22:23:2:5.6.7| Show InChI InChI=1S/C28H35N3O2/c32-28(33-20-21-6-2-1-3-7-21)31-13-12-22-18-27(31)25-11-10-24(19-26(22)25)30-16-14-29(15-17-30)23-8-4-5-9-23/h1-3,6-7,10-11,19,22-23,27H,4-5,8-9,12-18,20H2/t22-,27-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Texas at Austin Curated by ChEMBL					Assay Description Displacement of [3H]-ditolylguanidine from sigma2 receptor in rat PC12 cells in presence of (+)-pentazocine by PDSP assay				ACS Med Chem Lett 8: 455-460 (2017) Article DOI: 10.1021/acsmedchemlett.7b00066 BindingDB Entry DOI: 10.7270/Q21C2048
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Homo sapiens (Human))	BDBM488147 (US10954217, Example Table 3.A29) Show SMILES CCOC(=O)CCN1CCN(CC1)c1cccc2CCN(Cc12)C(=O)OCc1ccccc1 Show InChI InChI=1S/C26H33N3O4/c1-2-32-25(30)12-13-27-15-17-28(18-16-27)24-10-6-9-22-11-14-29(19-23(22)24)26(31)33-20-21-7-4-3-5-8-21/h3-10H,2,11-20H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	11.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM US Patent					Assay Description TBD				US Patent US10954217 (2021) BindingDB Entry DOI: 10.7270/Q2JH3Q9M
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50232711 (CHEMBL4085576) Show SMILES [H][C@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1ccc(cc21)N1CCN(CC=C)CC1 |r,TLB:19:18:2:5.6.7,8:5:2:23.18,THB:22:23:2:5.6.7| Show InChI InChI=1S/C26H31N3O2/c1-2-11-27-13-15-28(16-14-27)22-8-9-23-24(18-22)21-10-12-29(25(23)17-21)26(30)31-19-20-6-4-3-5-7-20/h2-9,18,21,25H,1,10-17,19H2/t21-,25-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Texas at Austin Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from guinea pig brain sigma1 receptor by PDSP assay				ACS Med Chem Lett 8: 455-460 (2017) Article DOI: 10.1021/acsmedchemlett.7b00066 BindingDB Entry DOI: 10.7270/Q21C2048
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50370628 (CHEMBL4166276 | US10954217, Example 00262) Show SMILES O=C(OCc1ccccc1)N1CCCc2ccc(cc2C1)N1CCN(CC1)C1CCCC1 Show InChI InChI=1S/C27H35N3O2/c31-27(32-21-22-7-2-1-3-8-22)30-14-6-9-23-12-13-26(19-24(23)20-30)29-17-15-28(16-18-29)25-10-4-5-11-25/h1-3,7-8,12-13,19,25H,4-6,9-11,14-18,20-21H2	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
University of Texas at Austin Curated by ChEMBL					Assay Description Displacement of [3H]-ditolylguanidine from sigma2 receptor in rat PC12 cells by microbeta scintillation counting method				Eur J Med Chem 151: 557-567 (2018) Article DOI: 10.1016/j.ejmech.2018.02.024 BindingDB Entry DOI: 10.7270/Q28918FQ
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50232709 (CHEMBL4098442 | US11046670, Table 6.3) Show SMILES [H][C@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1cc(ccc21)N1CCN(CC1)C1CCCCC1 |r,TLB:19:18:2:5.6.7,8:5:2:23.18,THB:22:23:2:5.6.7| Show InChI InChI=1S/C29H37N3O2/c33-29(34-21-22-7-3-1-4-8-22)32-14-13-23-19-28(32)27-20-25(11-12-26(23)27)31-17-15-30(16-18-31)24-9-5-2-6-10-24/h1,3-4,7-8,11-12,20,23-24,28H,2,5-6,9-10,13-19,21H2/t23-,28-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Texas at Austin Curated by ChEMBL					Assay Description Displacement of [3H]-ditolylguanidine from sigma2 receptor in rat PC12 cells in presence of (+)-pentazocine by PDSP assay				ACS Med Chem Lett 8: 455-460 (2017) Article DOI: 10.1021/acsmedchemlett.7b00066 BindingDB Entry DOI: 10.7270/Q21C2048
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Homo sapiens (Human))	BDBM50370628 (CHEMBL4166276 | US10954217, Example 00262) Show SMILES O=C(OCc1ccccc1)N1CCCc2ccc(cc2C1)N1CCN(CC1)C1CCCC1 Show InChI InChI=1S/C27H35N3O2/c31-27(32-21-22-7-2-1-3-8-22)30-14-6-9-23-12-13-26(19-24(23)20-30)29-17-15-28(16-18-29)25-10-4-5-11-25/h1-3,7-8,12-13,19,25H,4-6,9-11,14-18,20-21H2	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM US Patent					Assay Description TBD				US Patent US10954217 (2021) BindingDB Entry DOI: 10.7270/Q2JH3Q9M
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50232710 (CHEMBL4093176) Show SMILES [H][C@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1ccc(cc21)N1CCN(Cc2ccccc2)CC1 |r,TLB:19:18:2:5.6.7,8:5:2:23.18,THB:22:23:2:5.6.7| Show InChI InChI=1S/C30H33N3O2/c34-30(35-22-24-9-5-2-6-10-24)33-14-13-25-19-29(33)27-12-11-26(20-28(25)27)32-17-15-31(16-18-32)21-23-7-3-1-4-8-23/h1-12,20,25,29H,13-19,21-22H2/t25-,29-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Texas at Austin Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from guinea pig brain sigma1 receptor by PDSP assay				ACS Med Chem Lett 8: 455-460 (2017) Article DOI: 10.1021/acsmedchemlett.7b00066 BindingDB Entry DOI: 10.7270/Q21C2048
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Homo sapiens (Human))	BDBM488155 (US10954217, Example Table 3.A37) Show SMILES CCCN1CCN(CC1)c1ccc2CCCN(Cc2c1)C(=O)OCc1ccccc1 Show InChI InChI=1S/C25H33N3O2/c1-2-12-26-14-16-27(17-15-26)24-11-10-22-9-6-13-28(19-23(22)18-24)25(29)30-20-21-7-4-3-5-8-21/h3-5,7-8,10-11,18H,2,6,9,12-17,19-20H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM US Patent					Assay Description TBD				US Patent US10954217 (2021) BindingDB Entry DOI: 10.7270/Q2JH3Q9M
					More data for this Ligand-Target Pair

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