Compile Data Set for Download or QSAR

Found 28 hits with Last Name = 'marottoli' and Initial = 'r'   

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))	BDBM50048866 (1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-na...) Show SMILES COc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc12 Show InChI InChI=1S/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari ALDO MORO Curated by ChEMBL					Assay Description Displacement of [3H]-pentazocine from sigma 1 receptor in guinea pig brain after 30 mins by radioligand binding assay				Eur J Med Chem 46: 4733-41 (2011) Article DOI: 10.1016/j.ejmech.2011.05.057 BindingDB Entry DOI: 10.7270/Q2B56KQ5
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50035131 ((+)-(6R,11S)-6,11-dimethyl-3-(3-methyl-but-2-enyl)...) 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:16:15:10.4.3:1| 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+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari ALDO MORO Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from Dunkin guinea pig brain sigma 1 receptor				J Med Chem 57: 3314-23 (2014) Article DOI: 10.1021/jm401874n BindingDB Entry DOI: 10.7270/Q2DB83DF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50035131 ((+)-(6R,11S)-6,11-dimethyl-3-(3-methyl-but-2-enyl)...) 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:16:15:10.4.3:1| 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+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari ALDO MORO Curated by ChEMBL					Assay Description Displacement of (+)-[3H]-pentazocine from sigma 1 receptor in Dunkin guinea pig brain membranes without cerebellum				Eur J Med Chem 69: 920-30 (2013) Article DOI: 10.1016/j.ejmech.2013.09.018 BindingDB Entry DOI: 10.7270/Q2K64KH7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50035131 ((+)-(6R,11S)-6,11-dimethyl-3-(3-methyl-but-2-enyl)...) 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:16:15:10.4.3:1| 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+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	3.09	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari ALDO MORO Curated by ChEMBL					Assay Description Displacement of [3H]-pentazocine from sigma 1 receptor in guinea pig brain after 30 mins by radioligand binding assay				Eur J Med Chem 46: 4733-41 (2011) Article DOI: 10.1016/j.ejmech.2011.05.057 BindingDB Entry DOI: 10.7270/Q2B56KQ5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50012204 (CHEMBL3259962) Show SMILES CN(C)c1ccc2C(=O)N(CCCCCCOc3cccc4C(CCCN5CCN(CC5)C5CCCCC5)CCCc34)C(=O)c2c1 Show InChI InChI=1S/C39H56N4O3/c1-40(2)32-20-21-35-36(29-32)39(45)43(38(35)44)23-8-3-4-9-28-46-37-19-11-17-33-30(13-10-18-34(33)37)14-12-22-41-24-26-42(27-25-41)31-15-6-5-7-16-31/h11,17,19-21,29-31H,3-10,12-16,18,22-28H2,1-2H3	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
Universit£ degli Studi di Bari ALDO MORO Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from Dunkin guinea pig brain sigma 1 receptor				J Med Chem 57: 3314-23 (2014) Article DOI: 10.1021/jm401874n BindingDB Entry DOI: 10.7270/Q2DB83DF
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50353288 (CHEMBL1830692) Show SMILES O=C1N(CCCN2CCN(CC2)C2CCCCC2)CCc2ccccc12 Show InChI InChI=1S/C22H33N3O/c26-22-21-10-5-4-7-19(21)11-14-25(22)13-6-12-23-15-17-24(18-16-23)20-8-2-1-3-9-20/h4-5,7,10,20H,1-3,6,8-9,11-18H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	24.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari ALDO MORO Curated by ChEMBL					Assay Description Displacement of [3H]-pentazocine from sigma 1 receptor in guinea pig brain after 30 mins by radioligand binding assay				Eur J Med Chem 46: 4733-41 (2011) Article DOI: 10.1016/j.ejmech.2011.05.057 BindingDB Entry DOI: 10.7270/Q2B56KQ5
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50353283 (CHEMBL1830687) Show SMILES COc1cc(Br)cc(C(=O)NCCCN2CCN(CC2)C2CCCCC2)c1OC Show InChI InChI=1S/C22H34BrN3O3/c1-28-20-16-17(23)15-19(21(20)29-2)22(27)24-9-6-10-25-11-13-26(14-12-25)18-7-4-3-5-8-18/h15-16,18H,3-14H2,1-2H3,(H,24,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari ALDO MORO Curated by ChEMBL					Assay Description Displacement of [3H]-pentazocine from sigma 1 receptor in guinea pig brain after 30 mins by radioligand binding assay				Eur J Med Chem 46: 4733-41 (2011) Article DOI: 10.1016/j.ejmech.2011.05.057 BindingDB Entry DOI: 10.7270/Q2B56KQ5
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50353287 (CHEMBL1830691) Show SMILES COc1cccc2C(CCCc12)C(=O)NCCCN1CCN(CC1)C1CCCCC1 Show InChI InChI=1S/C25H39N3O2/c1-30-24-13-6-10-21-22(24)11-5-12-23(21)25(29)26-14-7-15-27-16-18-28(19-17-27)20-8-3-2-4-9-20/h6,10,13,20,23H,2-5,7-9,11-12,14-19H2,1H3,(H,26,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	35.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari ALDO MORO Curated by ChEMBL					Assay Description Displacement of [3H]-pentazocine from sigma 1 receptor in guinea pig brain after 30 mins by radioligand binding assay				Eur J Med Chem 46: 4733-41 (2011) Article DOI: 10.1016/j.ejmech.2011.05.057 BindingDB Entry DOI: 10.7270/Q2B56KQ5
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50353281 (CHEMBL1830685) Show SMILES COc1ccc(C)cc1C(=O)NCCCN1CCN(CC1)C1CCCCC1 Show InChI InChI=1S/C22H35N3O2/c1-18-9-10-21(27-2)20(17-18)22(26)23-11-6-12-24-13-15-25(16-14-24)19-7-4-3-5-8-19/h9-10,17,19H,3-8,11-16H2,1-2H3,(H,23,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	45.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari ALDO MORO Curated by ChEMBL					Assay Description Displacement of [3H]-pentazocine from sigma 1 receptor in guinea pig brain after 30 mins by radioligand binding assay				Eur J Med Chem 46: 4733-41 (2011) Article DOI: 10.1016/j.ejmech.2011.05.057 BindingDB Entry DOI: 10.7270/Q2B56KQ5
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50353286 (CHEMBL1830690) Show SMILES COc1cc2CCN(CCCNC(=O)C3CCCc4c(OC)cccc34)Cc2cc1OC Show InChI InChI=1S/C26H34N2O4/c1-30-23-10-5-7-20-21(23)8-4-9-22(20)26(29)27-12-6-13-28-14-11-18-15-24(31-2)25(32-3)16-19(18)17-28/h5,7,10,15-16,22H,4,6,8-9,11-14,17H2,1-3H3,(H,27,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	146	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari ALDO MORO Curated by ChEMBL					Assay Description Displacement of [3H]-pentazocine from sigma 1 receptor in guinea pig brain after 30 mins by radioligand binding assay				Eur J Med Chem 46: 4733-41 (2011) Article DOI: 10.1016/j.ejmech.2011.05.057 BindingDB Entry DOI: 10.7270/Q2B56KQ5
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50353279 (CHEMBL1830683 | CHEMBL259582) Show SMILES COc1cc2CCN(CCCC3CCCc4c(OC)cccc34)Cc2cc1OC Show InChI InChI=1S/C25H33NO3/c1-27-23-11-5-9-21-18(7-4-10-22(21)23)8-6-13-26-14-12-19-15-24(28-2)25(29-3)16-20(19)17-26/h5,9,11,15-16,18H,4,6-8,10,12-14,17H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	151	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari ALDO MORO Curated by ChEMBL					Assay Description Displacement of [3H]-pentazocine from sigma 1 receptor in guinea pig brain after 30 mins by radioligand binding assay				Eur J Med Chem 46: 4733-41 (2011) Article DOI: 10.1016/j.ejmech.2011.05.057 BindingDB Entry DOI: 10.7270/Q2B56KQ5
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50012203 (CHEMBL3259961) Show SMILES Nc1ccc2C(=O)N(CCCCCCOc3cccc4C(CCCN5CCN(CC5)C5CCCCC5)CCCc34)C(=O)c3cccc1c23 Show InChI InChI=1S/C41H54N4O3/c42-37-22-21-36-39-34(37)18-9-19-35(39)40(46)45(41(36)47)24-6-1-2-7-29-48-38-20-10-16-32-30(12-8-17-33(32)38)13-11-23-43-25-27-44(28-26-43)31-14-4-3-5-15-31/h9-10,16,18-22,30-31H,1-8,11-15,17,23-29,42H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	156	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari ALDO MORO Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from Dunkin guinea pig brain sigma 1 receptor				J Med Chem 57: 3314-23 (2014) Article DOI: 10.1021/jm401874n BindingDB Entry DOI: 10.7270/Q2DB83DF
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50012205 (CHEMBL3259963) Show SMILES [Br-].CCN(CC)c1ccc2cc(\C=C\C3=[N+](CCCCCC(=O)NCCCCCCOc4cccc5C(CCCN6CCN(CC6)C6CCCCC6)CCCc45)c4ccccc4C3(C)C)c(=O)oc2c1 |c:13| Show InChI InChI=1S/C60H83N5O4.BrH/c1-5-63(6-2)50-34-32-47-44-48(59(67)69-56(47)45-50)33-35-57-60(3,4)53-28-14-15-29-54(53)65(57)38-17-10-13-31-58(66)61-36-16-7-8-18-43-68-55-30-20-26-51-46(22-19-27-52(51)55)23-21-37-62-39-41-64(42-40-62)49-24-11-9-12-25-49;/h14-15,20,26,28-30,32-35,44-46,49H,5-13,16-19,21-25,27,31,36-43H2,1-4H3;1H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	235	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari ALDO MORO Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from Dunkin guinea pig brain sigma 1 receptor				J Med Chem 57: 3314-23 (2014) Article DOI: 10.1021/jm401874n BindingDB Entry DOI: 10.7270/Q2DB83DF
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50012192 (CHEMBL3259960) Show SMILES [O-][N+](=O)c1ccc(NCCCCCCCCCCOc2cccc3C(CCCN4CCN(CC4)C4CCCCC4)CCCc23)c2nonc12 Show InChI InChI=1S/C39H58N6O4/c46-45(47)36-23-22-35(38-39(36)42-49-41-38)40-24-10-5-3-1-2-4-6-11-30-48-37-21-13-19-33-31(15-12-20-34(33)37)16-14-25-43-26-28-44(29-27-43)32-17-8-7-9-18-32/h13,19,21-23,31-32,40H,1-12,14-18,20,24-30H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	258	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari ALDO MORO Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from Dunkin guinea pig brain sigma 1 receptor				J Med Chem 57: 3314-23 (2014) Article DOI: 10.1021/jm401874n BindingDB Entry DOI: 10.7270/Q2DB83DF
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50353285 (CHEMBL1830689) Show SMILES COc1cc(Br)c(cc1OC)C(=O)NCCCN1CCN(CC1)C1CCCCC1 Show InChI InChI=1S/C22H34BrN3O3/c1-28-20-15-18(19(23)16-21(20)29-2)22(27)24-9-6-10-25-11-13-26(14-12-25)17-7-4-3-5-8-17/h15-17H,3-14H2,1-2H3,(H,24,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	268	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari ALDO MORO Curated by ChEMBL					Assay Description Displacement of [3H]-pentazocine from sigma 1 receptor in guinea pig brain after 30 mins by radioligand binding assay				Eur J Med Chem 46: 4733-41 (2011) Article DOI: 10.1016/j.ejmech.2011.05.057 BindingDB Entry DOI: 10.7270/Q2B56KQ5
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50441933 (CHEMBL2437383) Show SMILES COc1cc2CCN(CCCN3CCc4cc(F)ccc4C3=O)Cc2cc1OC Show InChI InChI=1S/C23H27FN2O3/c1-28-21-13-16-6-10-25(15-18(16)14-22(21)29-2)8-3-9-26-11-7-17-12-19(24)4-5-20(17)23(26)27/h4-5,12-14H,3,6-11,15H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	311	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari ALDO MORO Curated by ChEMBL					Assay Description Displacement of (+)-[3H]-pentazocine from sigma 1 receptor in Dunkin guinea pig brain membranes without cerebellum				Eur J Med Chem 69: 920-30 (2013) Article DOI: 10.1016/j.ejmech.2013.09.018 BindingDB Entry DOI: 10.7270/Q2K64KH7
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50441936 (CHEMBL2437384) Show SMILES COc1ccc2C(=O)N(CCCN3CCc4cc(OC)c(OC)cc4C3)CCc2c1 Show InChI InChI=1S/C24H30N2O4/c1-28-20-5-6-21-18(13-20)8-12-26(24(21)27)10-4-9-25-11-7-17-14-22(29-2)23(30-3)15-19(17)16-25/h5-6,13-15H,4,7-12,16H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	402	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari ALDO MORO Curated by ChEMBL					Assay Description Displacement of (+)-[3H]-pentazocine from sigma 1 receptor in Dunkin guinea pig brain membranes without cerebellum				Eur J Med Chem 69: 920-30 (2013) Article DOI: 10.1016/j.ejmech.2013.09.018 BindingDB Entry DOI: 10.7270/Q2K64KH7
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50353280 (CHEMBL1830684) Show SMILES COc1ccc(C)cc1C(=O)NCCCN1CCc2cc(OC)c(OC)cc2C1 Show InChI InChI=1S/C23H30N2O4/c1-16-6-7-20(27-2)19(12-16)23(26)24-9-5-10-25-11-8-17-13-21(28-3)22(29-4)14-18(17)15-25/h6-7,12-14H,5,8-11,15H2,1-4H3,(H,24,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	534	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari ALDO MORO Curated by ChEMBL					Assay Description Displacement of [3H]-pentazocine from sigma 1 receptor in guinea pig brain after 30 mins by radioligand binding assay				Eur J Med Chem 46: 4733-41 (2011) Article DOI: 10.1016/j.ejmech.2011.05.057 BindingDB Entry DOI: 10.7270/Q2B56KQ5
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50353289 (CHEMBL1828651) Show SMILES COc1cc2CCN(CCCN3CCc4ccccc4C3=O)Cc2cc1OC Show InChI InChI=1S/C23H28N2O3/c1-27-21-14-18-8-12-24(16-19(18)15-22(21)28-2)10-5-11-25-13-9-17-6-3-4-7-20(17)23(25)26/h3-4,6-7,14-15H,5,8-13,16H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	709	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari ALDO MORO Curated by ChEMBL					Assay Description Displacement of [3H]-pentazocine from sigma 1 receptor in guinea pig brain after 30 mins by radioligand binding assay				Eur J Med Chem 46: 4733-41 (2011) Article DOI: 10.1016/j.ejmech.2011.05.057 BindingDB Entry DOI: 10.7270/Q2B56KQ5
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50441935 (CHEMBL2437385) Show SMILES COc1cccc2CCN(CCCN3CCc4cc(OC)c(OC)cc4C3)C(=O)c12 Show InChI InChI=1S/C24H30N2O4/c1-28-20-7-4-6-17-9-13-26(24(27)23(17)20)11-5-10-25-12-8-18-14-21(29-2)22(30-3)15-19(18)16-25/h4,6-7,14-15H,5,8-13,16H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.63E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari ALDO MORO Curated by ChEMBL					Assay Description Displacement of (+)-[3H]-pentazocine from sigma 1 receptor in Dunkin guinea pig brain membranes without cerebellum				Eur J Med Chem 69: 920-30 (2013) Article DOI: 10.1016/j.ejmech.2013.09.018 BindingDB Entry DOI: 10.7270/Q2K64KH7
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50137628 (CHEMBL1830682 | CHEMBL60048 | N-(4-(6,7-dimethoxy-...) Show SMILES COc1ccc(C)cc1C(=O)NCCCCN1CCc2cc(OC)c(OC)cc2C1 Show InChI InChI=1S/C24H32N2O4/c1-17-7-8-21(28-2)20(13-17)24(27)25-10-5-6-11-26-12-9-18-14-22(29-3)23(30-4)15-19(18)16-26/h7-8,13-15H,5-6,9-12,16H2,1-4H3,(H,25,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.15E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari ALDO MORO Curated by ChEMBL					Assay Description Displacement of [3H]-pentazocine from sigma 1 receptor in guinea pig brain after 30 mins by radioligand binding assay				Eur J Med Chem 46: 4733-41 (2011) Article DOI: 10.1016/j.ejmech.2011.05.057 BindingDB Entry DOI: 10.7270/Q2B56KQ5
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50441937 (CHEMBL2437387) Show SMILES COc1cccc2C(=O)N(CCCN3CCc4cc(OC)c(OC)cc4C3)CCc12 Show InChI InChI=1S/C24H30N2O4/c1-28-21-7-4-6-20-19(21)9-13-26(24(20)27)11-5-10-25-12-8-17-14-22(29-2)23(30-3)15-18(17)16-25/h4,6-7,14-15H,5,8-13,16H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.44E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari ALDO MORO Curated by ChEMBL					Assay Description Displacement of (+)-[3H]-pentazocine from sigma 1 receptor in Dunkin guinea pig brain membranes without cerebellum				Eur J Med Chem 69: 920-30 (2013) Article DOI: 10.1016/j.ejmech.2013.09.018 BindingDB Entry DOI: 10.7270/Q2K64KH7
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50441934 (CHEMBL2437382) Show SMILES COc1cc2CCN(CCCN3CCc4cc(OC)c(OC)cc4C3=O)Cc2cc1OC Show InChI InChI=1S/C25H32N2O5/c1-29-21-12-17-6-10-26(16-19(17)14-23(21)31-3)8-5-9-27-11-7-18-13-22(30-2)24(32-4)15-20(18)25(27)28/h12-15H,5-11,16H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.57E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari ALDO MORO Curated by ChEMBL					Assay Description Displacement of (+)-[3H]-pentazocine from sigma 1 receptor in Dunkin guinea pig brain membranes without cerebellum				Eur J Med Chem 69: 920-30 (2013) Article DOI: 10.1016/j.ejmech.2013.09.018 BindingDB Entry DOI: 10.7270/Q2K64KH7
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50353284 (CHEMBL1830688) Show SMILES COc1cc(Br)c(cc1OC)C(=O)NCCCN1CCc2cc(OC)c(OC)cc2C1 Show InChI InChI=1S/C23H29BrN2O5/c1-28-19-10-15-6-9-26(14-16(15)11-20(19)29-2)8-5-7-25-23(27)17-12-21(30-3)22(31-4)13-18(17)24/h10-13H,5-9,14H2,1-4H3,(H,25,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.57E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari ALDO MORO Curated by ChEMBL					Assay Description Displacement of [3H]-pentazocine from sigma 1 receptor in guinea pig brain after 30 mins by radioligand binding assay				Eur J Med Chem 46: 4733-41 (2011) Article DOI: 10.1016/j.ejmech.2011.05.057 BindingDB Entry DOI: 10.7270/Q2B56KQ5
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50441932 (CHEMBL2437386) Show SMILES COc1cc2CCN(CCCN3CCc4c(OCCF)cccc4C3=O)Cc2cc1OC Show InChI InChI=1S/C25H31FN2O4/c1-30-23-15-18-7-12-27(17-19(18)16-24(23)31-2)10-4-11-28-13-8-20-21(25(28)29)5-3-6-22(20)32-14-9-26/h3,5-6,15-16H,4,7-14,17H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari ALDO MORO Curated by ChEMBL					Assay Description Displacement of (+)-[3H]-pentazocine from sigma 1 receptor in Dunkin guinea pig brain membranes without cerebellum				Eur J Med Chem 69: 920-30 (2013) Article DOI: 10.1016/j.ejmech.2013.09.018 BindingDB Entry DOI: 10.7270/Q2K64KH7
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50353282 (CHEMBL1830686) Show SMILES COc1cc2CCN(CCCNC(=O)c3cc(Br)cc(OC)c3OC)Cc2cc1OC Show InChI InChI=1S/C23H29BrN2O5/c1-28-19-10-15-6-9-26(14-16(15)11-20(19)29-2)8-5-7-25-23(27)18-12-17(24)13-21(30-3)22(18)31-4/h10-13H,5-9,14H2,1-4H3,(H,25,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari ALDO MORO Curated by ChEMBL					Assay Description Displacement of [3H]-pentazocine from sigma 1 receptor in guinea pig brain after 30 mins by radioligand binding assay				Eur J Med Chem 46: 4733-41 (2011) Article DOI: 10.1016/j.ejmech.2011.05.057 BindingDB Entry DOI: 10.7270/Q2B56KQ5
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50441932 (CHEMBL2437386) Show SMILES COc1cc2CCN(CCCN3CCc4c(OCCF)cccc4C3=O)Cc2cc1OC Show InChI InChI=1S/C25H31FN2O4/c1-30-23-15-18-7-12-27(17-19(18)16-24(23)31-2)10-4-11-28-13-8-20-21(25(28)29)5-3-6-22(20)32-14-9-26/h3,5-6,15-16H,4,7-14,17H2,1-2H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari ALDO MORO Curated by ChEMBL					Assay Description Activity at human MDR1 expressed in MDCK cells assessed as Calcein-AM uptake after 30 mins by fluorescence assay				Eur J Med Chem 69: 920-30 (2013) Article DOI: 10.1016/j.ejmech.2013.09.018 BindingDB Entry DOI: 10.7270/Q2K64KH7
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50374731 (CHEMBL260599) Show SMILES COc1cc2CCN(CC\C=C3/CCCc4c(OC)cccc34)Cc2cc1OC Show InChI InChI=1S/C25H31NO3/c1-27-23-11-5-9-21-18(7-4-10-22(21)23)8-6-13-26-14-12-19-15-24(28-2)25(29-3)16-20(19)17-26/h5,8-9,11,15-16H,4,6-7,10,12-14,17H2,1-3H3/b18-8+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari ALDO MORO Curated by ChEMBL					Assay Description Activity at human MDR1 expressed in MDCK cells assessed as Calcein-AM uptake after 30 mins by fluorescence assay				Eur J Med Chem 69: 920-30 (2013) Article DOI: 10.1016/j.ejmech.2013.09.018 BindingDB Entry DOI: 10.7270/Q2K64KH7
					More data for this Ligand-Target Pair