Compile Data Set for Download or QSAR

Found 55 hits with Last Name = 'amanlou' and Initial = 'm'   

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))	BDBM50159011 (4-Benzyl-1-(4-phenyl-butyl)-piperidine | CHEMBL178...) Show SMILES C(CN1CCC(Cc2ccccc2)CC1)Cc1ccccc1 Show InChI InChI=1S/C21H27N/c1-3-8-19(9-4-1)12-7-15-22-16-13-21(14-17-22)18-20-10-5-2-6-11-20/h1-6,8-11,21H,7,12-18H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NSTRI 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 a...				Eur J Med Chem 64: 488-97 (2013) Article DOI: 10.1016/j.ejmech.2013.04.013 BindingDB Entry DOI: 10.7270/Q2WM1FTD
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50435872 (CHEMBL2391071) Show SMILES Ic1cccc(CS(=O)(=O)N2CCC(Cc3ccccc3)CC2)c1 Show InChI InChI=1S/C19H22INO2S/c20-19-8-4-7-18(14-19)15-24(22,23)21-11-9-17(10-12-21)13-16-5-2-1-3-6-16/h1-8,14,17H,9-13,15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.960	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NSTRI 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 a...				Eur J Med Chem 64: 488-97 (2013) Article DOI: 10.1016/j.ejmech.2013.04.013 BindingDB Entry DOI: 10.7270/Q2WM1FTD
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50435871 (CHEMBL2391070) Show SMILES Brc1cccc(CS(=O)(=O)N2CCC(Cc3ccccc3)CC2)c1 Show InChI InChI=1S/C19H22BrNO2S/c20-19-8-4-7-18(14-19)15-24(22,23)21-11-9-17(10-12-21)13-16-5-2-1-3-6-16/h1-8,14,17H,9-13,15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NSTRI 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 a...				Eur J Med Chem 64: 488-97 (2013) Article DOI: 10.1016/j.ejmech.2013.04.013 BindingDB Entry DOI: 10.7270/Q2WM1FTD
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50435865 (CHEMBL2391065) Show SMILES Ic1cccc(CN2CCN(CC2)S(=O)(=O)Cc2ccccc2)c1 Show InChI InChI=1S/C18H21IN2O2S/c19-18-8-4-7-17(13-18)14-20-9-11-21(12-10-20)24(22,23)15-16-5-2-1-3-6-16/h1-8,13H,9-12,14-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NSTRI 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 a...				Eur J Med Chem 64: 488-97 (2013) Article DOI: 10.1016/j.ejmech.2013.04.013 BindingDB Entry DOI: 10.7270/Q2WM1FTD
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50435861 (CHEMBL2391061) Show SMILES Ic1cccc(CS(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1 Show InChI InChI=1S/C18H21IN2O2S/c19-18-8-4-7-17(13-18)15-24(22,23)21-11-9-20(10-12-21)14-16-5-2-1-3-6-16/h1-8,13H,9-12,14-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL 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
NSTRI 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 a...				Eur J Med Chem 64: 488-97 (2013) Article DOI: 10.1016/j.ejmech.2013.04.013 BindingDB Entry DOI: 10.7270/Q2WM1FTD
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NSTRI 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 a...				Eur J Med Chem 64: 488-97 (2013) Article DOI: 10.1016/j.ejmech.2013.04.013 BindingDB Entry DOI: 10.7270/Q2WM1FTD
					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	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NSTRI 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 a...				Eur J Med Chem 64: 488-97 (2013) Article DOI: 10.1016/j.ejmech.2013.04.013 BindingDB Entry DOI: 10.7270/Q2WM1FTD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50435873 (CHEMBL2391072) Show SMILES Cc1cccc(CS(=O)(=O)N2CCC(Cc3ccccc3)CC2)c1 Show InChI InChI=1S/C20H25NO2S/c1-17-6-5-9-20(14-17)16-24(22,23)21-12-10-19(11-13-21)15-18-7-3-2-4-8-18/h2-9,14,19H,10-13,15-16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NSTRI 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 a...				Eur J Med Chem 64: 488-97 (2013) Article DOI: 10.1016/j.ejmech.2013.04.013 BindingDB Entry DOI: 10.7270/Q2WM1FTD
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50125096 (1,4-Dibenzyl-piperazine | 1,4-Dibenzyl-piperazine,...) Show SMILES C(N1CCN(Cc2ccccc2)CC1)c1ccccc1 Show InChI InChI=1S/C18H22N2/c1-3-7-17(8-4-1)15-19-11-13-20(14-12-19)16-18-9-5-2-6-10-18/h1-10H,11-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NSTRI 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 a...				Eur J Med Chem 64: 488-97 (2013) Article DOI: 10.1016/j.ejmech.2013.04.013 BindingDB Entry DOI: 10.7270/Q2WM1FTD
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50435869 (CHEMBL2391068) Show SMILES O=S(=O)(Cc1ccccc1)N1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C19H23NO2S/c21-23(22,16-19-9-5-2-6-10-19)20-13-11-18(12-14-20)15-17-7-3-1-4-8-17/h1-10,18H,11-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NSTRI 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 a...				Eur J Med Chem 64: 488-97 (2013) Article DOI: 10.1016/j.ejmech.2013.04.013 BindingDB Entry DOI: 10.7270/Q2WM1FTD
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50435858 (CHEMBL1327876) Show SMILES O=S(=O)(Cc1ccccc1)N1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C18H22N2O2S/c21-23(22,16-18-9-5-2-6-10-18)20-13-11-19(12-14-20)15-17-7-3-1-4-8-17/h1-10H,11-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase 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
NSTRI 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 a...				Eur J Med Chem 64: 488-97 (2013) Article DOI: 10.1016/j.ejmech.2013.04.013 BindingDB Entry DOI: 10.7270/Q2WM1FTD
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50435867 (CHEMBL1479800) Show SMILES Brc1ccc(CN2CCN(CC2)S(=O)(=O)Cc2ccccc2)cc1 Show InChI InChI=1S/C18H21BrN2O2S/c19-18-8-6-16(7-9-18)14-20-10-12-21(13-11-20)24(22,23)15-17-4-2-1-3-5-17/h1-9H,10-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL 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
NSTRI 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 a...				Eur J Med Chem 64: 488-97 (2013) Article DOI: 10.1016/j.ejmech.2013.04.013 BindingDB Entry DOI: 10.7270/Q2WM1FTD
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50435866 (CHEMBL2391066) Show SMILES Cc1cccc(CN2CCN(CC2)S(=O)(=O)Cc2ccccc2)c1 Show InChI InChI=1S/C19H24N2O2S/c1-17-6-5-9-19(14-17)15-20-10-12-21(13-11-20)24(22,23)16-18-7-3-2-4-8-18/h2-9,14H,10-13,15-16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NSTRI 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 a...				Eur J Med Chem 64: 488-97 (2013) Article DOI: 10.1016/j.ejmech.2013.04.013 BindingDB Entry DOI: 10.7270/Q2WM1FTD
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50372598 (CHEMBL273041) Show SMILES C(CN1CCN(Cc2ccccc2)CC1)Cc1ccccc1 Show InChI InChI=1S/C20H26N2/c1-3-8-19(9-4-1)12-7-13-21-14-16-22(17-15-21)18-20-10-5-2-6-11-20/h1-6,8-11H,7,12-18H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase 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
NSTRI 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 a...				Eur J Med Chem 64: 488-97 (2013) Article DOI: 10.1016/j.ejmech.2013.04.013 BindingDB Entry DOI: 10.7270/Q2WM1FTD
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50435874 (CHEMBL2391073) Show SMILES O=S(=O)(N1CCC(Cc2ccccc2)CC1)c1ccccc1 Show InChI InChI=1S/C18H21NO2S/c20-22(21,18-9-5-2-6-10-18)19-13-11-17(12-14-19)15-16-7-3-1-4-8-16/h1-10,17H,11-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase 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
NSTRI 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 a...				Eur J Med Chem 64: 488-97 (2013) Article DOI: 10.1016/j.ejmech.2013.04.013 BindingDB Entry DOI: 10.7270/Q2WM1FTD
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50435875 (CHEMBL272551) Show SMILES O=S(=O)(N1CCN(Cc2ccccc2)CC1)c1ccccc1 Show InChI InChI=1S/C17H20N2O2S/c20-22(21,17-9-5-2-6-10-17)19-13-11-18(12-14-19)15-16-7-3-1-4-8-16/h1-10H,11-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NSTRI 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 a...				Eur J Med Chem 64: 488-97 (2013) Article DOI: 10.1016/j.ejmech.2013.04.013 BindingDB Entry DOI: 10.7270/Q2WM1FTD
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50435860 (CHEMBL2391060) Show SMILES Brc1cccc(CS(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1 Show InChI InChI=1S/C18H21BrN2O2S/c19-18-8-4-7-17(13-18)15-24(22,23)21-11-9-20(10-12-21)14-16-5-2-1-3-6-16/h1-8,13H,9-12,14-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NSTRI 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 a...				Eur J Med Chem 64: 488-97 (2013) Article DOI: 10.1016/j.ejmech.2013.04.013 BindingDB Entry DOI: 10.7270/Q2WM1FTD
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50435862 (CHEMBL2391062) Show SMILES Cc1cccc(CS(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1 Show InChI InChI=1S/C19H24N2O2S/c1-17-6-5-9-19(14-17)16-24(22,23)21-12-10-20(11-13-21)15-18-7-3-2-4-8-18/h2-9,14H,10-13,15-16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NSTRI 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 a...				Eur J Med Chem 64: 488-97 (2013) Article DOI: 10.1016/j.ejmech.2013.04.013 BindingDB Entry DOI: 10.7270/Q2WM1FTD
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM81982 (CAS_97-39-2 | DITOLYLGUANIDINE | DTG | Di-o-tolylg...) Show SMILES Cc1ccccc1NC(N)=Nc1ccccc1C |w:10.11| 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 PC cid PC sid UniChem Patents Similars	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NSTRI 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 a...				Eur J Med Chem 64: 488-97 (2013) Article DOI: 10.1016/j.ejmech.2013.04.013 BindingDB Entry DOI: 10.7270/Q2WM1FTD
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50435884 (CHEMBL2391057) Show SMILES OC[C@@H]1CN(CCc2ccccc2)CCN1Cc1ccccc1 |r| Show InChI InChI=1S/C20H26N2O/c23-17-20-16-21(12-11-18-7-3-1-4-8-18)13-14-22(20)15-19-9-5-2-6-10-19/h1-10,20,23H,11-17H2/t20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NSTRI 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 a...				Eur J Med Chem 64: 488-97 (2013) Article DOI: 10.1016/j.ejmech.2013.04.013 BindingDB Entry DOI: 10.7270/Q2WM1FTD
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50435870 (CHEMBL2391069) Show SMILES Clc1cccc(CS(=O)(=O)N2CCC(Cc3ccccc3)CC2)c1 Show InChI InChI=1S/C19H22ClNO2S/c20-19-8-4-7-18(14-19)15-24(22,23)21-11-9-17(10-12-21)13-16-5-2-1-3-6-16/h1-8,14,17H,9-13,15H2	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
NSTRI 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 a...				Eur J Med Chem 64: 488-97 (2013) Article DOI: 10.1016/j.ejmech.2013.04.013 BindingDB Entry DOI: 10.7270/Q2WM1FTD
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50435864 (CHEMBL2391064) Show SMILES Clc1cccc(CN2CCN(CC2)S(=O)(=O)Cc2ccccc2)c1 Show InChI InChI=1S/C18H21ClN2O2S/c19-18-8-4-7-17(13-18)14-20-9-11-21(12-10-20)24(22,23)15-16-5-2-1-3-6-16/h1-8,13H,9-12,14-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NSTRI 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 a...				Eur J Med Chem 64: 488-97 (2013) Article DOI: 10.1016/j.ejmech.2013.04.013 BindingDB Entry DOI: 10.7270/Q2WM1FTD
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50435878 (CHEMBL2391076) Show SMILES O=S(=O)(CCc1ccccc1)N1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C20H25NO2S/c22-24(23,16-13-18-7-3-1-4-8-18)21-14-11-20(12-15-21)17-19-9-5-2-6-10-19/h1-10,20H,11-17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NSTRI 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 a...				Eur J Med Chem 64: 488-97 (2013) Article DOI: 10.1016/j.ejmech.2013.04.013 BindingDB Entry DOI: 10.7270/Q2WM1FTD
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50435859 (CHEMBL2391059) Show SMILES Clc1cccc(CS(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1 Show InChI InChI=1S/C18H21ClN2O2S/c19-18-8-4-7-17(13-18)15-24(22,23)21-11-9-20(10-12-21)14-16-5-2-1-3-6-16/h1-8,13H,9-12,14-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NSTRI 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 a...				Eur J Med Chem 64: 488-97 (2013) Article DOI: 10.1016/j.ejmech.2013.04.013 BindingDB Entry DOI: 10.7270/Q2WM1FTD
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50435863 (CHEMBL2391063) Show SMILES Fc1cccc(CN2CCN(CC2)S(=O)(=O)Cc2ccccc2)c1 Show InChI InChI=1S/C18H21FN2O2S/c19-18-8-4-7-17(13-18)14-20-9-11-21(12-10-20)24(22,23)15-16-5-2-1-3-6-16/h1-8,13H,9-12,14-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NSTRI 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 a...				Eur J Med Chem 64: 488-97 (2013) Article DOI: 10.1016/j.ejmech.2013.04.013 BindingDB Entry DOI: 10.7270/Q2WM1FTD
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50435879 (CHEMBL2391077) Show SMILES O=S(=O)(CCc1ccccc1)N1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C19H24N2O2S/c22-24(23,16-11-18-7-3-1-4-8-18)21-14-12-20(13-15-21)17-19-9-5-2-6-10-19/h1-10H,11-17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NSTRI 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 a...				Eur J Med Chem 64: 488-97 (2013) Article DOI: 10.1016/j.ejmech.2013.04.013 BindingDB Entry DOI: 10.7270/Q2WM1FTD
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50435880 (CHEMBL2391078) Show SMILES O=S(=O)(\C=C\c1ccccc1)N1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C20H23NO2S/c22-24(23,16-13-18-7-3-1-4-8-18)21-14-11-20(12-15-21)17-19-9-5-2-6-10-19/h1-10,13,16,20H,11-12,14-15,17H2/b16-13+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	138	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NSTRI 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 a...				Eur J Med Chem 64: 488-97 (2013) Article DOI: 10.1016/j.ejmech.2013.04.013 BindingDB Entry DOI: 10.7270/Q2WM1FTD
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50435868 (CHEMBL2391067) Show SMILES COc1ccc(CN2CCN(CC2)S(=O)(=O)Cc2ccccc2)cc1 Show InChI InChI=1S/C19H24N2O3S/c1-24-19-9-7-17(8-10-19)15-20-11-13-21(14-12-20)25(22,23)16-18-5-3-2-4-6-18/h2-10H,11-16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	192	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NSTRI 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 a...				Eur J Med Chem 64: 488-97 (2013) Article DOI: 10.1016/j.ejmech.2013.04.013 BindingDB Entry DOI: 10.7270/Q2WM1FTD
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50435881 (CHEMBL1422857) Show SMILES O=S(=O)(\C=C\c1ccccc1)N1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C19H22N2O2S/c22-24(23,16-11-18-7-3-1-4-8-18)21-14-12-20(13-15-21)17-19-9-5-2-6-10-19/h1-11,16H,12-15,17H2/b16-11+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	201	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NSTRI 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 a...				Eur J Med Chem 64: 488-97 (2013) Article DOI: 10.1016/j.ejmech.2013.04.013 BindingDB Entry DOI: 10.7270/Q2WM1FTD
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50435876 (CHEMBL2391074) Show SMILES Clc1ccc(cc1)S(=O)(=O)N1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C18H20ClNO2S/c19-17-6-8-18(9-7-17)23(21,22)20-12-10-16(11-13-20)14-15-4-2-1-3-5-15/h1-9,16H,10-14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	551	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NSTRI 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 a...				Eur J Med Chem 64: 488-97 (2013) Article DOI: 10.1016/j.ejmech.2013.04.013 BindingDB Entry DOI: 10.7270/Q2WM1FTD
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50435882 (CHEMBL2391079) Show SMILES Brc1ccc(\C=C\S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C20H22BrNO2S/c21-20-8-6-17(7-9-20)12-15-25(23,24)22-13-10-19(11-14-22)16-18-4-2-1-3-5-18/h1-9,12,15,19H,10-11,13-14,16H2/b15-12+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	843	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NSTRI 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 a...				Eur J Med Chem 64: 488-97 (2013) Article DOI: 10.1016/j.ejmech.2013.04.013 BindingDB Entry DOI: 10.7270/Q2WM1FTD
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50435877 (CHEMBL2391075) Show SMILES Clc1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C17H19ClN2O2S/c18-16-6-8-17(9-7-16)23(21,22)20-12-10-19(11-13-20)14-15-4-2-1-3-5-15/h1-9H,10-14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	969	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NSTRI 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 a...				Eur J Med Chem 64: 488-97 (2013) Article DOI: 10.1016/j.ejmech.2013.04.013 BindingDB Entry DOI: 10.7270/Q2WM1FTD
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50435883 (CHEMBL2391080) Show SMILES Brc1ccc(\C=C\S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C19H21BrN2O2S/c20-19-8-6-17(7-9-19)10-15-25(23,24)22-13-11-21(12-14-22)16-18-4-2-1-3-5-18/h1-10,15H,11-14,16H2/b15-10+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.08E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NSTRI 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 a...				Eur J Med Chem 64: 488-97 (2013) Article DOI: 10.1016/j.ejmech.2013.04.013 BindingDB Entry DOI: 10.7270/Q2WM1FTD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50325191 ((Z)-1-(2-Fluorobenzyl)-4-((6-methoxy-3-oxobenzofur...) Show SMILES COc1ccc2C(=O)\C(Oc2c1)=C\c1cc[n+](Cc2ccccc2F)cc1 Show InChI InChI=1S/C22H17FNO3/c1-26-17-6-7-18-20(13-17)27-21(22(18)25)12-15-8-10-24(11-9-15)14-16-4-2-3-5-19(16)23/h2-13H,14H2,1H3/q+1/b21-12-	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by Ellman's method				Bioorg Med Chem 18: 6360-6 (2010) Article DOI: 10.1016/j.bmc.2010.07.012 BindingDB Entry DOI: 10.7270/Q22807TN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50325193 ((Z)-1-(4-Fluorobenzyl)-4-((6-methoxy-3-oxobenzofur...) Show SMILES COc1ccc2C(=O)\C(Oc2c1)=C\c1cc[n+](Cc2ccc(F)cc2)cc1 Show InChI InChI=1S/C22H17FNO3/c1-26-18-6-7-19-20(13-18)27-21(22(19)25)12-15-8-10-24(11-9-15)14-16-2-4-17(23)5-3-16/h2-13H,14H2,1H3/q+1/b21-12-	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by Ellman's method				Bioorg Med Chem 18: 6360-6 (2010) Article DOI: 10.1016/j.bmc.2010.07.012 BindingDB Entry DOI: 10.7270/Q22807TN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by Ellman's method				Bioorg Med Chem 18: 6360-6 (2010) Article DOI: 10.1016/j.bmc.2010.07.012 BindingDB Entry DOI: 10.7270/Q22807TN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50325198 ((Z)-1-(2-Fluorobenzyl)-4-((6-ethoxy-3-oxobenzofura...) Show SMILES CCOc1ccc2C(=O)\C(Oc2c1)=C\c1cc[n+](Cc2ccccc2F)cc1 Show InChI InChI=1S/C23H19FNO3/c1-2-27-18-7-8-19-21(14-18)28-22(23(19)26)13-16-9-11-25(12-10-16)15-17-5-3-4-6-20(17)24/h3-14H,2,15H2,1H3/q+1/b22-13-	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by Ellman's method				Bioorg Med Chem 18: 6360-6 (2010) Article DOI: 10.1016/j.bmc.2010.07.012 BindingDB Entry DOI: 10.7270/Q22807TN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50325190 ((Z)-1-Benzyl-4-((6-methoxy-3-oxobenzofuran-2(3H)-y...) Show SMILES COc1ccc2C(=O)\C(Oc2c1)=C\c1cc[n+](Cc2ccccc2)cc1 Show InChI InChI=1S/C22H18NO3/c1-25-18-7-8-19-20(14-18)26-21(22(19)24)13-16-9-11-23(12-10-16)15-17-5-3-2-4-6-17/h2-14H,15H2,1H3/q+1/b21-13-	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by Ellman's method				Bioorg Med Chem 18: 6360-6 (2010) Article DOI: 10.1016/j.bmc.2010.07.012 BindingDB Entry DOI: 10.7270/Q22807TN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50325199 ((Z)-1-(3-Fluorobenzyl)-4-((6-ethoxy-3-oxobenzofura...) Show SMILES CCOc1ccc2C(=O)\C(Oc2c1)=C\c1cc[n+](Cc2cccc(F)c2)cc1 Show InChI InChI=1S/C23H19FNO3/c1-2-27-19-6-7-20-21(14-19)28-22(23(20)26)13-16-8-10-25(11-9-16)15-17-4-3-5-18(24)12-17/h3-14H,2,15H2,1H3/q+1/b22-13-	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by Ellman's method				Bioorg Med Chem 18: 6360-6 (2010) Article DOI: 10.1016/j.bmc.2010.07.012 BindingDB Entry DOI: 10.7270/Q22807TN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50325205 ((Z)-1-(2-Fluorobenzyl)-4-((6-propoxy-3-oxobenzofur...) Show SMILES CCCOc1ccc2C(=O)\C(Oc2c1)=C\c1cc[n+](Cc2ccccc2F)cc1 Show InChI InChI=1S/C24H21FNO3/c1-2-13-28-19-7-8-20-22(15-19)29-23(24(20)27)14-17-9-11-26(12-10-17)16-18-5-3-4-6-21(18)25/h3-12,14-15H,2,13,16H2,1H3/q+1/b23-14-	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by Ellman's method				Bioorg Med Chem 18: 6360-6 (2010) Article DOI: 10.1016/j.bmc.2010.07.012 BindingDB Entry DOI: 10.7270/Q22807TN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50325200 ((Z)-1-(4-Fluorobenzyl)-4-((6-ethoxy-3-oxobenzofura...) Show SMILES CCOc1ccc2C(=O)\C(Oc2c1)=C\c1cc[n+](Cc2ccc(F)cc2)cc1 Show InChI InChI=1S/C23H19FNO3/c1-2-27-19-7-8-20-21(14-19)28-22(23(20)26)13-16-9-11-25(12-10-16)15-17-3-5-18(24)6-4-17/h3-14H,2,15H2,1H3/q+1/b22-13-	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by Ellman's method				Bioorg Med Chem 18: 6360-6 (2010) Article DOI: 10.1016/j.bmc.2010.07.012 BindingDB Entry DOI: 10.7270/Q22807TN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50325192 ((Z)-1-(3-Fluorobenzyl)-4-((6-methoxy-3-oxobenzofur...) Show SMILES COc1ccc2C(=O)\C(Oc2c1)=C\c1cc[n+](Cc2cccc(F)c2)cc1 Show InChI InChI=1S/C22H17FNO3/c1-26-18-5-6-19-20(13-18)27-21(22(19)25)12-15-7-9-24(10-8-15)14-16-3-2-4-17(23)11-16/h2-13H,14H2,1H3/q+1/b21-12-	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by Ellman's method				Bioorg Med Chem 18: 6360-6 (2010) Article DOI: 10.1016/j.bmc.2010.07.012 BindingDB Entry DOI: 10.7270/Q22807TN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50325197 ((Z)-1-Benzyl-4-((6-ethoxy-3-oxobenzofuran-2(3H)-yl...) Show SMILES CCOc1ccc2C(=O)\C(Oc2c1)=C\c1cc[n+](Cc2ccccc2)cc1 Show InChI InChI=1S/C23H20NO3/c1-2-26-19-8-9-20-21(15-19)27-22(23(20)25)14-17-10-12-24(13-11-17)16-18-6-4-3-5-7-18/h3-15H,2,16H2,1H3/q+1/b22-14-	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by Ellman's method				Bioorg Med Chem 18: 6360-6 (2010) Article DOI: 10.1016/j.bmc.2010.07.012 BindingDB Entry DOI: 10.7270/Q22807TN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50325207 ((Z)-1-(4-Fluorobenzyl)-4-((6-propoxy-3-oxobenzofur...) Show SMILES CCCOc1ccc2C(=O)\C(Oc2c1)=C\c1cc[n+](Cc2ccc(F)cc2)cc1 Show InChI InChI=1S/C24H21FNO3/c1-2-13-28-20-7-8-21-22(15-20)29-23(24(21)27)14-17-9-11-26(12-10-17)16-18-3-5-19(25)6-4-18/h3-12,14-15H,2,13,16H2,1H3/q+1/b23-14-	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by Ellman's method				Bioorg Med Chem 18: 6360-6 (2010) Article DOI: 10.1016/j.bmc.2010.07.012 BindingDB Entry DOI: 10.7270/Q22807TN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50325194 ((Z)-1-(2-Methylbenzyl)-4-((6-methoxy-3-oxobenzofur...) Show SMILES COc1ccc2C(=O)\C(Oc2c1)=C\c1cc[n+](Cc2ccccc2C)cc1 Show InChI InChI=1S/C23H20NO3/c1-16-5-3-4-6-18(16)15-24-11-9-17(10-12-24)13-22-23(25)20-8-7-19(26-2)14-21(20)27-22/h3-14H,15H2,1-2H3/q+1/b22-13-	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by Ellman's method				Bioorg Med Chem 18: 6360-6 (2010) Article DOI: 10.1016/j.bmc.2010.07.012 BindingDB Entry DOI: 10.7270/Q22807TN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50325204 ((Z)-1-Benzyl-4-((6-propoxy-3-oxobenzofuran-2(3H)-y...) Show SMILES CCCOc1ccc2C(=O)\C(Oc2c1)=C\c1cc[n+](Cc2ccccc2)cc1 Show InChI InChI=1S/C24H22NO3/c1-2-14-27-20-8-9-21-22(16-20)28-23(24(21)26)15-18-10-12-25(13-11-18)17-19-6-4-3-5-7-19/h3-13,15-16H,2,14,17H2,1H3/q+1/b23-15-	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by Ellman's method				Bioorg Med Chem 18: 6360-6 (2010) Article DOI: 10.1016/j.bmc.2010.07.012 BindingDB Entry DOI: 10.7270/Q22807TN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50325206 ((Z)-1-(3-Fluorobenzyl)-4-((6-propoxy-3-oxobenzofur...) Show SMILES CCCOc1ccc2C(=O)\C(Oc2c1)=C\c1cc[n+](Cc2cccc(F)c2)cc1 Show InChI InChI=1S/C24H21FNO3/c1-2-12-28-20-6-7-21-22(15-20)29-23(24(21)27)14-17-8-10-26(11-9-17)16-18-4-3-5-19(25)13-18/h3-11,13-15H,2,12,16H2,1H3/q+1/b23-14-	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	107	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by Ellman's method				Bioorg Med Chem 18: 6360-6 (2010) Article DOI: 10.1016/j.bmc.2010.07.012 BindingDB Entry DOI: 10.7270/Q22807TN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50325195 ((Z)-1-(3-Methylbenzyl)-4-((6-methoxy-3-oxobenzofur...) Show SMILES COc1ccc2C(=O)\C(Oc2c1)=C\c1cc[n+](Cc2cccc(C)c2)cc1 Show InChI InChI=1S/C23H20NO3/c1-16-4-3-5-18(12-16)15-24-10-8-17(9-11-24)13-22-23(25)20-7-6-19(26-2)14-21(20)27-22/h3-14H,15H2,1-2H3/q+1/b22-13-	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	123	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by Ellman's method				Bioorg Med Chem 18: 6360-6 (2010) Article DOI: 10.1016/j.bmc.2010.07.012 BindingDB Entry DOI: 10.7270/Q22807TN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50325209 ((Z)-1-(3-Methylbenzyl)-4-((6-propoxy-3-oxobenzofur...) Show SMILES CCCOc1ccc2C(=O)\C(Oc2c1)=C\c1cc[n+](Cc2cccc(C)c2)cc1 Show InChI InChI=1S/C25H24NO3/c1-3-13-28-21-7-8-22-23(16-21)29-24(25(22)27)15-19-9-11-26(12-10-19)17-20-6-4-5-18(2)14-20/h4-12,14-16H,3,13,17H2,1-2H3/q+1/b24-15-	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	234	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by Ellman's method				Bioorg Med Chem 18: 6360-6 (2010) Article DOI: 10.1016/j.bmc.2010.07.012 BindingDB Entry DOI: 10.7270/Q22807TN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50325208 ((Z)-1-(2-Methylbenzyl)-4-((6-propoxy-3-oxobenzofur...) Show SMILES CCCOc1ccc2C(=O)\C(Oc2c1)=C\c1cc[n+](Cc2ccccc2C)cc1 Show InChI InChI=1S/C25H24NO3/c1-3-14-28-21-8-9-22-23(16-21)29-24(25(22)27)15-19-10-12-26(13-11-19)17-20-7-5-4-6-18(20)2/h4-13,15-16H,3,14,17H2,1-2H3/q+1/b24-15-	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	328	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by Ellman's method				Bioorg Med Chem 18: 6360-6 (2010) Article DOI: 10.1016/j.bmc.2010.07.012 BindingDB Entry DOI: 10.7270/Q22807TN
					More data for this Ligand-Target Pair

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