Compile Data Set for Download or QSAR

Found 16 hits with Last Name = 'alirezapour' and Initial = 'b'   

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))	BDBM50170446 (CHEMBL3805784) Show SMILES C(N1CCC2(CC1)Nc1ccccc1N=N2)c1ccccc1 |c:16| Show InChI InChI=1S/C18H20N4/c1-2-6-15(7-3-1)14-22-12-10-18(11-13-22)19-16-8-4-5-9-17(16)20-21-18/h1-9,19H,10-14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tehran Curated by ChEMBL					Assay Description Displacement of [3H](+)-Pentazocine from Sigma1 receptor in guinea pig brain membrane by liquid scintillation counting analysis				Bioorg Med Chem Lett 26: 2676-9 (2016) Article DOI: 10.1016/j.bmcl.2016.04.010 BindingDB Entry DOI: 10.7270/Q2KS6TFV
					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	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tehran Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from Sigma1 receptor in Dunkin Hartley guinea pig brain membrane after 120 mins by liquid scintillation counting ...				Bioorg Med Chem Lett 26: 2676-9 (2016) Article DOI: 10.1016/j.bmcl.2016.04.010 BindingDB Entry DOI: 10.7270/Q2KS6TFV
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tehran Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from Sigma1 receptor in Dunkin Hartley guinea pig brain membrane after 120 mins by liquid scintillation counting ...				Bioorg Med Chem Lett 26: 2676-9 (2016) Article DOI: 10.1016/j.bmcl.2016.04.010 BindingDB Entry DOI: 10.7270/Q2KS6TFV
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50170579 (CHEMBL3805466) Show SMILES COc1ccc(cc1)C(=O)N1CC(=O)N(C2CCCCC2)C(=O)C11CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C29H35N3O4/c1-36-25-14-12-23(13-15-25)27(34)31-21-26(33)32(24-10-6-3-7-11-24)28(35)29(31)16-18-30(19-17-29)20-22-8-4-2-5-9-22/h2,4-5,8-9,12-15,24H,3,6-7,10-11,16-21H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL 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 Tehran Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from Sigma1 receptor in Dunkin Hartley guinea pig brain membrane after 120 mins by liquid scintillation counting ...				Bioorg Med Chem Lett 26: 2676-9 (2016) Article DOI: 10.1016/j.bmcl.2016.04.010 BindingDB Entry DOI: 10.7270/Q2KS6TFV
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50170581 (CHEMBL3805031) Show SMILES O=C(N1CC(=O)N(C2CCCCC2)C(=O)C11CCN(Cc2ccccc2)CC1)c1ccccc1 Show InChI InChI=1S/C28H33N3O3/c32-25-21-30(26(33)23-12-6-2-7-13-23)28(27(34)31(25)24-14-8-3-9-15-24)16-18-29(19-17-28)20-22-10-4-1-5-11-22/h1-2,4-7,10-13,24H,3,8-9,14-21H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tehran Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from Sigma1 receptor in Dunkin Hartley guinea pig brain membrane after 120 mins by liquid scintillation counting ...				Bioorg Med Chem Lett 26: 2676-9 (2016) Article DOI: 10.1016/j.bmcl.2016.04.010 BindingDB Entry DOI: 10.7270/Q2KS6TFV
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50170580 (CHEMBL3805219) Show SMILES Cc1ccc(cc1)C(=O)N1CC(=O)N(C2CCCCC2)C(=O)C11CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C29H35N3O3/c1-22-12-14-24(15-13-22)27(34)31-21-26(33)32(25-10-6-3-7-11-25)28(35)29(31)16-18-30(19-17-29)20-23-8-4-2-5-9-23/h2,4-5,8-9,12-15,25H,3,6-7,10-11,16-21H2,1H3	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
University of Tehran Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from Sigma1 receptor in Dunkin Hartley guinea pig brain membrane after 120 mins by liquid scintillation counting ...				Bioorg Med Chem Lett 26: 2676-9 (2016) Article DOI: 10.1016/j.bmcl.2016.04.010 BindingDB Entry DOI: 10.7270/Q2KS6TFV
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50009307 (DITOLYLGUANIDINE | Di-o-tolylguanidine) Show SMILES Cc1ccccc1NC(=N)Nc1ccccc1C Show InChI InChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tehran Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from Sigma1 receptor in Dunkin Hartley guinea pig brain membrane after 120 mins by liquid scintillation counting ...				Bioorg Med Chem Lett 26: 2676-9 (2016) Article DOI: 10.1016/j.bmcl.2016.04.010 BindingDB Entry DOI: 10.7270/Q2KS6TFV
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50170577 (CHEMBL3805640) Show SMILES O=C(N1CC(=O)N(C2CCCCC2)C(=O)C11CCCC1)c1ccccc1 Show InChI InChI=1S/C21H26N2O3/c24-18-15-22(19(25)16-9-3-1-4-10-16)21(13-7-8-14-21)20(26)23(18)17-11-5-2-6-12-17/h1,3-4,9-10,17H,2,5-8,11-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tehran Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from Sigma1 receptor in Dunkin Hartley guinea pig brain membrane after 120 mins by liquid scintillation counting ...				Bioorg Med Chem Lett 26: 2676-9 (2016) Article DOI: 10.1016/j.bmcl.2016.04.010 BindingDB Entry DOI: 10.7270/Q2KS6TFV
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50170575 (CHEMBL3805259) Show SMILES Cc1ccc(cc1)C(=O)N1CC(=O)N(C2CCCCC2)C(=O)C11CCCC1 Show InChI InChI=1S/C22H28N2O3/c1-16-9-11-17(12-10-16)20(26)23-15-19(25)24(18-7-3-2-4-8-18)21(27)22(23)13-5-6-14-22/h9-12,18H,2-8,13-15H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	189	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tehran Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from Sigma1 receptor in Dunkin Hartley guinea pig brain membrane after 120 mins by liquid scintillation counting ...				Bioorg Med Chem Lett 26: 2676-9 (2016) Article DOI: 10.1016/j.bmcl.2016.04.010 BindingDB Entry DOI: 10.7270/Q2KS6TFV
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50170570 (CHEMBL3805661) Show SMILES O=C(N1CC(=O)N(C2CCCCC2)C(=O)C11CCCCC1)c1ccccc1 Show InChI InChI=1S/C22H28N2O3/c25-19-16-23(20(26)17-10-4-1-5-11-17)22(14-8-3-9-15-22)21(27)24(19)18-12-6-2-7-13-18/h1,4-5,10-11,18H,2-3,6-9,12-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	227	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tehran Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from Sigma1 receptor in Dunkin Hartley guinea pig brain membrane after 120 mins by liquid scintillation counting ...				Bioorg Med Chem Lett 26: 2676-9 (2016) Article DOI: 10.1016/j.bmcl.2016.04.010 BindingDB Entry DOI: 10.7270/Q2KS6TFV
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50170568 (CHEMBL3805535) Show SMILES Cc1ccc(cc1)C(=O)N1CC(=O)N(C2CCCCC2)C(=O)C11CCCCC1 Show InChI InChI=1S/C23H30N2O3/c1-17-10-12-18(13-11-17)21(27)24-16-20(26)25(19-8-4-2-5-9-19)22(28)23(24)14-6-3-7-15-23/h10-13,19H,2-9,14-16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	399	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tehran Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from Sigma1 receptor in Dunkin Hartley guinea pig brain membrane after 120 mins by liquid scintillation counting ...				Bioorg Med Chem Lett 26: 2676-9 (2016) Article DOI: 10.1016/j.bmcl.2016.04.010 BindingDB Entry DOI: 10.7270/Q2KS6TFV
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50170574 (CHEMBL3804973) Show SMILES COc1ccc(cc1)C(=O)N1CC(=O)N(C2CCCCC2)C(=O)C11CCCC1 Show InChI InChI=1S/C22H28N2O4/c1-28-18-11-9-16(10-12-18)20(26)23-15-19(25)24(17-7-3-2-4-8-17)21(27)22(23)13-5-6-14-22/h9-12,17H,2-8,13-15H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	429	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tehran Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from Sigma1 receptor in Dunkin Hartley guinea pig brain membrane after 120 mins by liquid scintillation counting ...				Bioorg Med Chem Lett 26: 2676-9 (2016) Article DOI: 10.1016/j.bmcl.2016.04.010 BindingDB Entry DOI: 10.7270/Q2KS6TFV
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50170565 (CHEMBL3806283) Show SMILES COc1ccc(C(=O)N2CC(=O)N(C3CCCCC3)C(=O)C22CCCCC2)c(OC)c1 Show InChI InChI=1S/C24H32N2O5/c1-30-18-11-12-19(20(15-18)31-2)22(28)25-16-21(27)26(17-9-5-3-6-10-17)23(29)24(25)13-7-4-8-14-24/h11-12,15,17H,3-10,13-14,16H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	968	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tehran Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from Sigma1 receptor in Dunkin Hartley guinea pig brain membrane after 120 mins by liquid scintillation counting ...				Bioorg Med Chem Lett 26: 2676-9 (2016) Article DOI: 10.1016/j.bmcl.2016.04.010 BindingDB Entry DOI: 10.7270/Q2KS6TFV
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50170566 (CHEMBL3806038) Show SMILES COc1ccc(cc1)C(=O)N1CC(=O)N(C2CCCCC2)C(=O)C11CCCCC1 Show InChI InChI=1S/C23H30N2O4/c1-29-19-12-10-17(11-13-19)21(27)24-16-20(26)25(18-8-4-2-5-9-18)22(28)23(24)14-6-3-7-15-23/h10-13,18H,2-9,14-16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.37E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tehran Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from Sigma1 receptor in Dunkin Hartley guinea pig brain membrane after 120 mins by liquid scintillation counting ...				Bioorg Med Chem Lett 26: 2676-9 (2016) Article DOI: 10.1016/j.bmcl.2016.04.010 BindingDB Entry DOI: 10.7270/Q2KS6TFV
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50170467 (CHEMBL3805305) Show SMILES CC(C)(C)C1CCC2(CC1)N(CC(=O)N(C1CCCCC1)C2=O)C(=O)c1ccccc1 |(-1.05,-5.27,;.01,-4.64,;1.08,-5.25,;.02,-5.88,;,-3.1,;-1.33,-2.31,;-1.33,-.77,;;1.31,-.77,;1.31,-2.31,;1.31,.75,;1.31,2.33,;,3.08,;0,4.32,;-1.33,2.33,;-2.66,3.11,;-4.01,2.36,;-5.33,3.14,;-5.31,4.68,;-3.97,5.44,;-2.65,4.65,;-1.33,.75,;-2.4,.13,;2.64,-.04,;2.62,-1.27,;3.98,.72,;5.31,-.07,;6.65,.69,;6.67,2.23,;5.34,3.01,;4,2.26,)| Show InChI InChI=1S/C26H36N2O3/c1-25(2,3)20-14-16-26(17-15-20)24(31)28(21-12-8-5-9-13-21)22(29)18-27(26)23(30)19-10-6-4-7-11-19/h4,6-7,10-11,20-21H,5,8-9,12-18H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tehran Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from Sigma1 receptor in Dunkin Hartley guinea pig brain membrane after 120 mins by liquid scintillation counting ...				Bioorg Med Chem Lett 26: 2676-9 (2016) Article DOI: 10.1016/j.bmcl.2016.04.010 BindingDB Entry DOI: 10.7270/Q2KS6TFV
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50170452 (CHEMBL3805975) Show SMILES COc1ccc(cc1)C(=O)N1CC(=O)N(C2CCCCC2)C(=O)C11CCC(CC1)C(C)(C)C |(8.02,4.22,;8.01,2.98,;6.67,2.23,;6.65,.69,;5.31,-.07,;3.98,.72,;4,2.26,;5.34,3.01,;2.64,-.04,;2.62,-1.27,;1.31,.75,;1.31,2.33,;,3.08,;0,4.32,;-1.33,2.33,;-2.66,3.11,;-4.01,2.36,;-5.33,3.14,;-5.31,4.68,;-3.97,5.44,;-2.65,4.65,;-1.33,.75,;-2.4,.13,;;-1.33,-.77,;-1.33,-2.31,;,-3.1,;1.31,-2.31,;1.31,-.77,;.01,-4.64,;-1.05,-5.27,;1.08,-5.25,;.02,-5.88,)| Show InChI InChI=1S/C27H38N2O4/c1-26(2,3)20-14-16-27(17-15-20)25(32)29(21-8-6-5-7-9-21)23(30)18-28(27)24(31)19-10-12-22(33-4)13-11-19/h10-13,20-21H,5-9,14-18H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.37E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tehran Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from Sigma1 receptor in Dunkin Hartley guinea pig brain membrane after 120 mins by liquid scintillation counting ...				Bioorg Med Chem Lett 26: 2676-9 (2016) Article DOI: 10.1016/j.bmcl.2016.04.010 BindingDB Entry DOI: 10.7270/Q2KS6TFV
					More data for this Ligand-Target Pair