Compile Data Set for Download or QSAR

Found 18 hits with Last Name = 'fraix' and Initial = 'a'   

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))	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]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membranes after 150 mins by liquid scintillation counting method				J Med Chem 60: 9531-9544 (2017) Article DOI: 10.1021/acs.jmedchem.7b00791 BindingDB Entry DOI: 10.7270/Q2NS0X9N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sigma intracellular receptor 2 (Homo sapiens (Human))	BDBM50243681 (CHEMBL4069507) Show SMILES [O-][N+](=O)c1ccc(NCCCCN2CCC(Cc3ccccc3)CC2)cc1C(F)(F)F Show InChI InChI=1S/C23H28F3N3O2/c24-23(25,26)21-17-20(8-9-22(21)29(30)31)27-12-4-5-13-28-14-10-19(11-15-28)16-18-6-2-1-3-7-18/h1-3,6-9,17,19,27H,4-5,10-16H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.40	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]-DTG from sigma 2 receptor (unknown origin) after 120 mins by liquid scintillation counting method				J Med Chem 60: 9531-9544 (2017) Article DOI: 10.1021/acs.jmedchem.7b00791 BindingDB Entry DOI: 10.7270/Q2NS0X9N
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Homo sapiens (Human))	BDBM50243653 (CHEMBL4104454) Show SMILES COc1cc2CCN(CCCNc3ccc(c(c3)C(F)(F)F)[N+]([O-])=O)Cc2cc1OC Show InChI InChI=1S/C21H24F3N3O4/c1-30-19-10-14-6-9-26(13-15(14)11-20(19)31-2)8-3-7-25-16-4-5-18(27(28)29)17(12-16)21(22,23)24/h4-5,10-12,25H,3,6-9,13H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Inhibition of [3H]mazindol binding to the dopamine transporter.				J Med Chem 60: 9531-9544 (2017) Article DOI: 10.1021/acs.jmedchem.7b00791 BindingDB Entry DOI: 10.7270/Q2NS0X9N
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Homo sapiens (Human))	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	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	16	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]-DTG from sigma 2 receptor (unknown origin) after 120 mins by liquid scintillation counting method				J Med Chem 60: 9531-9544 (2017) Article DOI: 10.1021/acs.jmedchem.7b00791 BindingDB Entry DOI: 10.7270/Q2NS0X9N
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50243681 (CHEMBL4069507) Show SMILES [O-][N+](=O)c1ccc(NCCCCN2CCC(Cc3ccccc3)CC2)cc1C(F)(F)F Show InChI InChI=1S/C23H28F3N3O2/c24-23(25,26)21-17-20(8-9-22(21)29(30)31)27-12-4-5-13-28-14-10-19(11-15-28)16-18-6-2-1-3-7-18/h1-3,6-9,17,19,27H,4-5,10-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	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 by liquid scintillation counting method				J Med Chem 60: 9531-9544 (2017) Article DOI: 10.1021/acs.jmedchem.7b00791 BindingDB Entry DOI: 10.7270/Q2NS0X9N
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Homo sapiens (Human))	BDBM50243667 (CHEMBL4089029) Show SMILES [O-][N+](=O)c1ccc(NCCCN2CCC(Cc3ccccc3)CC2)cc1C(F)(F)F Show InChI InChI=1S/C22H26F3N3O2/c23-22(24,25)20-16-19(7-8-21(20)28(29)30)26-11-4-12-27-13-9-18(10-14-27)15-17-5-2-1-3-6-17/h1-3,5-8,16,18,26H,4,9-15H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	22	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]-DTG from sigma 2 receptor (unknown origin) after 120 mins by liquid scintillation counting method				J Med Chem 60: 9531-9544 (2017) Article DOI: 10.1021/acs.jmedchem.7b00791 BindingDB Entry DOI: 10.7270/Q2NS0X9N
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Homo sapiens (Human))	BDBM50243683 (CHEMBL4084057) Show SMILES COc1cc2CCN(CCCCNc3ccc(c(c3)C(F)(F)F)[N+]([O-])=O)Cc2cc1OC Show InChI InChI=1S/C22H26F3N3O4/c1-31-20-11-15-7-10-27(14-16(15)12-21(20)32-2)9-4-3-8-26-17-5-6-19(28(29)30)18(13-17)22(23,24)25/h5-6,11-13,26H,3-4,7-10,14H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	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]-DTG from sigma 2 receptor (unknown origin) after 120 mins by liquid scintillation counting method				J Med Chem 60: 9531-9544 (2017) Article DOI: 10.1021/acs.jmedchem.7b00791 BindingDB Entry DOI: 10.7270/Q2NS0X9N
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Homo sapiens (Human))	BDBM50243652 (CHEMBL4079680) Show SMILES COc1cc2CCN(CCNc3ccc(c(c3)C(F)(F)F)[N+]([O-])=O)Cc2cc1OC Show InChI InChI=1S/C20H22F3N3O4/c1-29-18-9-13-5-7-25(12-14(13)10-19(18)30-2)8-6-24-15-3-4-17(26(27)28)16(11-15)20(21,22)23/h3-4,9-11,24H,5-8,12H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	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]-DTG from sigma 2 receptor (unknown origin) after 120 mins by liquid scintillation counting method				J Med Chem 60: 9531-9544 (2017) Article DOI: 10.1021/acs.jmedchem.7b00791 BindingDB Entry DOI: 10.7270/Q2NS0X9N
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Homo sapiens (Human))	BDBM50243684 (CHEMBL4096734) Show SMILES [O-][N+](=O)c1ccc(NCCCCCN2CCC(Cc3ccccc3)CC2)cc1C(F)(F)F Show InChI InChI=1S/C24H30F3N3O2/c25-24(26,27)22-18-21(9-10-23(22)30(31)32)28-13-5-2-6-14-29-15-11-20(12-16-29)17-19-7-3-1-4-8-19/h1,3-4,7-10,18,20,28H,2,5-6,11-17H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	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]-DTG from sigma 2 receptor (unknown origin) after 120 mins by liquid scintillation counting method				J Med Chem 60: 9531-9544 (2017) Article DOI: 10.1021/acs.jmedchem.7b00791 BindingDB Entry DOI: 10.7270/Q2NS0X9N
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Homo sapiens (Human))	BDBM50243682 (CHEMBL4102036) Show SMILES COc1cc2CCN(CCCCCNc3ccc(c(c3)C(F)(F)F)[N+]([O-])=O)Cc2cc1OC Show InChI InChI=1S/C23H28F3N3O4/c1-32-21-12-16-8-11-28(15-17(16)13-22(21)33-2)10-5-3-4-9-27-18-6-7-20(29(30)31)19(14-18)23(24,25)26/h6-7,12-14,27H,3-5,8-11,15H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	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]-DTG from sigma 2 receptor (unknown origin) after 120 mins by liquid scintillation counting method				J Med Chem 60: 9531-9544 (2017) Article DOI: 10.1021/acs.jmedchem.7b00791 BindingDB Entry DOI: 10.7270/Q2NS0X9N
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50243683 (CHEMBL4084057) Show SMILES COc1cc2CCN(CCCCNc3ccc(c(c3)C(F)(F)F)[N+]([O-])=O)Cc2cc1OC Show InChI InChI=1S/C22H26F3N3O4/c1-31-20-11-15-7-10-27(14-16(15)12-21(20)32-2)9-4-3-8-26-17-5-6-19(28(29)30)18(13-17)22(23,24)25/h5-6,11-13,26H,3-4,7-10,14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Inhibition of [3H]WIN-35428 binding to the dopamine transporter.				J Med Chem 60: 9531-9544 (2017) Article DOI: 10.1021/acs.jmedchem.7b00791 BindingDB Entry DOI: 10.7270/Q2NS0X9N
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50243682 (CHEMBL4102036) Show SMILES COc1cc2CCN(CCCCCNc3ccc(c(c3)C(F)(F)F)[N+]([O-])=O)Cc2cc1OC Show InChI InChI=1S/C23H28F3N3O4/c1-32-21-12-16-8-11-28(15-17(16)13-22(21)33-2)10-5-3-4-9-27-18-6-7-20(29(30)31)19(14-18)23(24,25)26/h6-7,12-14,27H,3-5,8-11,15H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39	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 by liquid scintillation counting method				J Med Chem 60: 9531-9544 (2017) Article DOI: 10.1021/acs.jmedchem.7b00791 BindingDB Entry DOI: 10.7270/Q2NS0X9N
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50243684 (CHEMBL4096734) Show SMILES [O-][N+](=O)c1ccc(NCCCCCN2CCC(Cc3ccccc3)CC2)cc1C(F)(F)F Show InChI InChI=1S/C24H30F3N3O2/c25-24(26,27)22-18-21(9-10-23(22)30(31)32)28-13-5-2-6-14-29-15-11-20(12-16-29)17-19-7-3-1-4-8-19/h1,3-4,7-10,18,20,28H,2,5-6,11-17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	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 by liquid scintillation counting method				J Med Chem 60: 9531-9544 (2017) Article DOI: 10.1021/acs.jmedchem.7b00791 BindingDB Entry DOI: 10.7270/Q2NS0X9N
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50243654 (CHEMBL4060828) Show SMILES [O-][N+](=O)c1ccc(NCCN2CCC(Cc3ccccc3)CC2)cc1C(F)(F)F Show InChI InChI=1S/C21H24F3N3O2/c22-21(23,24)19-15-18(6-7-20(19)27(28)29)25-10-13-26-11-8-17(9-12-26)14-16-4-2-1-3-5-16/h1-7,15,17,25H,8-14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41	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 by liquid scintillation counting method				J Med Chem 60: 9531-9544 (2017) Article DOI: 10.1021/acs.jmedchem.7b00791 BindingDB Entry DOI: 10.7270/Q2NS0X9N
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50243667 (CHEMBL4089029) Show SMILES [O-][N+](=O)c1ccc(NCCCN2CCC(Cc3ccccc3)CC2)cc1C(F)(F)F Show InChI InChI=1S/C22H26F3N3O2/c23-22(24,25)20-16-19(7-8-21(20)28(29)30)26-11-4-12-27-13-9-18(10-14-27)15-17-5-2-1-3-6-17/h1-3,5-8,16,18,26H,4,9-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	42	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 by liquid scintillation counting method				J Med Chem 60: 9531-9544 (2017) Article DOI: 10.1021/acs.jmedchem.7b00791 BindingDB Entry DOI: 10.7270/Q2NS0X9N
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Homo sapiens (Human))	BDBM50243654 (CHEMBL4060828) Show SMILES [O-][N+](=O)c1ccc(NCCN2CCC(Cc3ccccc3)CC2)cc1C(F)(F)F Show InChI InChI=1S/C21H24F3N3O2/c22-21(23,24)19-15-18(6-7-20(19)27(28)29)25-10-13-26-11-8-17(9-12-26)14-16-4-2-1-3-5-16/h1-7,15,17,25H,8-14H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	76	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]-DTG from sigma 2 receptor (unknown origin) after 120 mins by liquid scintillation counting method				J Med Chem 60: 9531-9544 (2017) Article DOI: 10.1021/acs.jmedchem.7b00791 BindingDB Entry DOI: 10.7270/Q2NS0X9N
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50243653 (CHEMBL4104454) Show SMILES COc1cc2CCN(CCCNc3ccc(c(c3)C(F)(F)F)[N+]([O-])=O)Cc2cc1OC Show InChI InChI=1S/C21H24F3N3O4/c1-30-19-10-14-6-9-26(13-15(14)11-20(19)31-2)8-3-7-25-16-4-5-18(27(28)29)17(12-16)21(22,23)24/h4-5,10-12,25H,3,6-9,13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	212	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Inhibition of [3H]dopamine uptake at dopamine transporter.				J Med Chem 60: 9531-9544 (2017) Article DOI: 10.1021/acs.jmedchem.7b00791 BindingDB Entry DOI: 10.7270/Q2NS0X9N
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50243652 (CHEMBL4079680) Show SMILES COc1cc2CCN(CCNc3ccc(c(c3)C(F)(F)F)[N+]([O-])=O)Cc2cc1OC Show InChI InChI=1S/C20H22F3N3O4/c1-29-18-9-13-5-7-25(12-14(13)10-19(18)30-2)8-6-24-15-3-4-17(26(27)28)16(11-15)20(21,22)23/h3-4,9-11,24H,5-8,12H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.92E+3	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 by liquid scintillation counting method				J Med Chem 60: 9531-9544 (2017) Article DOI: 10.1021/acs.jmedchem.7b00791 BindingDB Entry DOI: 10.7270/Q2NS0X9N
					More data for this Ligand-Target Pair