Compile Data Set for Download or QSAR

Found 130 hits with Last Name = 'jafari' 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
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50457028 (CHEMBL4218303) Show SMILES COc1ccccc1C1c2c(nc3CCCCc3c2N)-n2n1c(=O)c1ccccc1c2=O Show InChI InChI=1S/C25H22N4O3/c1-32-19-13-7-5-11-17(19)22-20-21(26)16-10-4-6-12-18(16)27-23(20)29-25(31)15-9-3-2-8-14(15)24(30)28(22)29/h2-3,5,7-9,11,13,22H,4,6,10,12H2,1H3,(H2,26,27)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Mixed-type inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measur...				Eur J Med Chem 139: 280-289 (2017) Article DOI: 10.1016/j.ejmech.2017.07.072 BindingDB Entry DOI: 10.7270/Q2SX6GVB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50406864 (CHEMBL4161244) Show SMILES COc1ccc(cc1OC)-c1cc2ccc(OCCCn3cc(CNC(=O)CCCCC4CCSS4)nn3)cc2oc1=O Show InChI InChI=1S/C31H36N4O6S2/c1-38-27-11-9-21(17-29(27)39-2)26-16-22-8-10-24(18-28(22)41-31(26)37)40-14-5-13-35-20-23(33-34-35)19-32-30(36)7-4-3-6-25-12-15-42-43-25/h8-11,16-18,20,25H,3-7,12-15,19H2,1-2H3,(H,32,36)	UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	6.91E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Non-competitive inhibition of electric eel AChE using varying levels of acetylthiocholine iodide as substrate pretreated for 5 mins followed by subst...				Eur J Med Chem 152: 600-614 (2018) Article DOI: 10.1016/j.ejmech.2018.04.058 BindingDB Entry DOI: 10.7270/Q2WW7M8B
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50443517 (CHEMBL3087899) Show SMILES [O-][N+](=O)c1ccc2oc(=O)c(cc2c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C24H25N3O5/c28-23(21-15-19-14-20(27(30)31)6-7-22(19)32-24(21)29)25-11-8-17-9-12-26(13-10-17)16-18-4-2-1-3-5-18/h1-7,14-15,17H,8-13,16H2,(H,25,28)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Kerman University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylcholine as substrate preincubated for 15 mins prior to substrate addition by Ellman's method				Eur J Med Chem 70: 623-30 (2013) Article DOI: 10.1016/j.ejmech.2013.10.024 BindingDB Entry DOI: 10.7270/Q2GQ7070
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50443513 (CHEMBL3087903) Show SMILES COc1cccc2cc(C(=O)NCCC3CCN(Cc4ccccc4)CC3)c(=O)oc12 Show InChI InChI=1S/C25H28N2O4/c1-30-22-9-5-8-20-16-21(25(29)31-23(20)22)24(28)26-13-10-18-11-14-27(15-12-18)17-19-6-3-2-4-7-19/h2-9,16,18H,10-15,17H2,1H3,(H,26,28)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Kerman University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylcholine as substrate preincubated for 15 mins prior to substrate addition by Ellman's method				Eur J Med Chem 70: 623-30 (2013) Article DOI: 10.1016/j.ejmech.2013.10.024 BindingDB Entry DOI: 10.7270/Q2GQ7070
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50443518 (CHEMBL3087898) Show SMILES Brc1ccc2oc(=O)c(cc2c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C24H25BrN2O3/c25-20-6-7-22-19(14-20)15-21(24(29)30-22)23(28)26-11-8-17-9-12-27(13-10-17)16-18-4-2-1-3-5-18/h1-7,14-15,17H,8-13,16H2,(H,26,28)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Kerman University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylcholine as substrate preincubated for 15 mins prior to substrate addition by Ellman's method				Eur J Med Chem 70: 623-30 (2013) Article DOI: 10.1016/j.ejmech.2013.10.024 BindingDB Entry DOI: 10.7270/Q2GQ7070
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50443515 (CHEMBL3087901) Show SMILES COc1ccc2cc(C(=O)NCCC3CCN(Cc4ccccc4)CC3)c(=O)oc2c1 Show InChI InChI=1S/C25H28N2O4/c1-30-21-8-7-20-15-22(25(29)31-23(20)16-21)24(28)26-12-9-18-10-13-27(14-11-18)17-19-5-3-2-4-6-19/h2-8,15-16,18H,9-14,17H2,1H3,(H,26,28)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Kerman University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylcholine as substrate preincubated for 15 mins prior to substrate addition by Ellman's method				Eur J Med Chem 70: 623-30 (2013) Article DOI: 10.1016/j.ejmech.2013.10.024 BindingDB Entry DOI: 10.7270/Q2GQ7070
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 6 ...				Eur J Med Chem 139: 280-289 (2017) Article DOI: 10.1016/j.ejmech.2017.07.072 BindingDB Entry DOI: 10.7270/Q2SX6GVB
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	14	n/a	n/a	n/a	n/a	n/a	n/a
Kerman University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylcholine as substrate preincubated for 15 mins prior to substrate addition by Ellman's method				Eur J Med Chem 70: 623-30 (2013) Article DOI: 10.1016/j.ejmech.2013.10.024 BindingDB Entry DOI: 10.7270/Q2GQ7070
					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	20	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 using acetylthiocholine iodide as substrate pretreated for 5 mins followed by substrate addition by Ellman's method				Eur J Med Chem 152: 600-614 (2018) Article DOI: 10.1016/j.ejmech.2018.04.058 BindingDB Entry DOI: 10.7270/Q2WW7M8B
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50457026 (CHEMBL4207023) Show SMILES Nc1c2C(c3cccc(F)c3)n3n(-c2nc2CCCCc12)c(=O)c1ccccc1c3=O Show InChI InChI=1S/C24H19FN4O2/c25-14-7-5-6-13(12-14)21-19-20(26)17-10-3-4-11-18(17)27-22(19)29-24(31)16-9-2-1-8-15(16)23(30)28(21)29/h1-2,5-9,12,21H,3-4,10-11H2,(H2,26,27)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	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 using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 6 mi...				Eur J Med Chem 139: 280-289 (2017) Article DOI: 10.1016/j.ejmech.2017.07.072 BindingDB Entry DOI: 10.7270/Q2SX6GVB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50443519 (CHEMBL3087897) Show SMILES O=C(NCCC1CCN(Cc2ccccc2)CC1)c1cc2ccccc2oc1=O Show InChI InChI=1S/C24H26N2O3/c27-23(21-16-20-8-4-5-9-22(20)29-24(21)28)25-13-10-18-11-14-26(15-12-18)17-19-6-2-1-3-7-19/h1-9,16,18H,10-15,17H2,(H,25,27)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Kerman University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylcholine as substrate preincubated for 15 mins prior to substrate addition by Ellman's method				Eur J Med Chem 70: 623-30 (2013) Article DOI: 10.1016/j.ejmech.2013.10.024 BindingDB Entry DOI: 10.7270/Q2GQ7070
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50443524 (CHEMBL3087905) Show SMILES Brc1ccc2oc(=O)c(cc2c1)C(=O)NC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C22H21BrN2O3/c23-17-6-7-20-16(12-17)13-19(22(27)28-20)21(26)24-18-8-10-25(11-9-18)14-15-4-2-1-3-5-15/h1-7,12-13,18H,8-11,14H2,(H,24,26)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Kerman University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylcholine as substrate preincubated for 15 mins prior to substrate addition by Ellman's method				Eur J Med Chem 70: 623-30 (2013) Article DOI: 10.1016/j.ejmech.2013.10.024 BindingDB Entry DOI: 10.7270/Q2GQ7070
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50457028 (CHEMBL4218303) Show SMILES COc1ccccc1C1c2c(nc3CCCCc3c2N)-n2n1c(=O)c1ccccc1c2=O Show InChI InChI=1S/C25H22N4O3/c1-32-19-13-7-5-11-17(19)22-20-21(26)16-10-4-6-12-18(16)27-23(20)29-25(31)15-9-3-2-8-14(15)24(30)28(22)29/h2-3,5,7-9,11,13,22H,4,6,10,12H2,1H3,(H2,26,27)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	49	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 using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 6 mi...				Eur J Med Chem 139: 280-289 (2017) Article DOI: 10.1016/j.ejmech.2017.07.072 BindingDB Entry DOI: 10.7270/Q2SX6GVB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50457015 (CHEMBL4203173) Show SMILES Nc1c2C(c3ccc(Cl)cc3)n3n(-c2nc2CCCCc12)c(=O)c1ccccc1c3=O Show InChI InChI=1S/C24H19ClN4O2/c25-14-11-9-13(10-12-14)21-19-20(26)17-7-3-4-8-18(17)27-22(19)29-24(31)16-6-2-1-5-15(16)23(30)28(21)29/h1-2,5-6,9-12,21H,3-4,7-8H2,(H2,26,27)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	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 using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 6 mi...				Eur J Med Chem 139: 280-289 (2017) Article DOI: 10.1016/j.ejmech.2017.07.072 BindingDB Entry DOI: 10.7270/Q2SX6GVB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50457024 (CHEMBL4207926) Show SMILES Nc1c2C(c3ccc(F)cc3)n3n(-c2nc2CCCCc12)c(=O)c1ccccc1c3=O Show InChI InChI=1S/C24H19FN4O2/c25-14-11-9-13(10-12-14)21-19-20(26)17-7-3-4-8-18(17)27-22(19)29-24(31)16-6-2-1-5-15(16)23(30)28(21)29/h1-2,5-6,9-12,21H,3-4,7-8H2,(H2,26,27)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	69	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 using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 6 mi...				Eur J Med Chem 139: 280-289 (2017) Article DOI: 10.1016/j.ejmech.2017.07.072 BindingDB Entry DOI: 10.7270/Q2SX6GVB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50443516 (CHEMBL3087900) Show SMILES Oc1ccc2oc(=O)c(cc2c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C24H26N2O4/c27-20-6-7-22-19(14-20)15-21(24(29)30-22)23(28)25-11-8-17-9-12-26(13-10-17)16-18-4-2-1-3-5-18/h1-7,14-15,17,27H,8-13,16H2,(H,25,28)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Kerman University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylcholine as substrate preincubated for 15 mins prior to substrate addition by Ellman's method				Eur J Med Chem 70: 623-30 (2013) Article DOI: 10.1016/j.ejmech.2013.10.024 BindingDB Entry DOI: 10.7270/Q2GQ7070
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50457014 (CHEMBL4203040) Show SMILES Nc1c2C(c3ccc(Br)cc3)n3n(-c2nc2CCCCc12)c(=O)c1ccccc1c3=O Show InChI InChI=1S/C24H19BrN4O2/c25-14-11-9-13(10-12-14)21-19-20(26)17-7-3-4-8-18(17)27-22(19)29-24(31)16-6-2-1-5-15(16)23(30)28(21)29/h1-2,5-6,9-12,21H,3-4,7-8H2,(H2,26,27)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	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 using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 6 mi...				Eur J Med Chem 139: 280-289 (2017) Article DOI: 10.1016/j.ejmech.2017.07.072 BindingDB Entry DOI: 10.7270/Q2SX6GVB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50457023 (CHEMBL4207397) Show SMILES Cc1ccc(cc1)C1c2c(nc3CCCCc3c2N)-n2n1c(=O)c1ccccc1c2=O Show InChI InChI=1S/C25H22N4O2/c1-14-10-12-15(13-11-14)22-20-21(26)18-8-4-5-9-19(18)27-23(20)29-25(31)17-7-3-2-6-16(17)24(30)28(22)29/h2-3,6-7,10-13,22H,4-5,8-9H2,1H3,(H2,26,27)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	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 using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 6 mi...				Eur J Med Chem 139: 280-289 (2017) Article DOI: 10.1016/j.ejmech.2017.07.072 BindingDB Entry DOI: 10.7270/Q2SX6GVB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50457025 (CHEMBL4210751) Show SMILES Nc1c2C(c3cccc(c3)[N+]([O-])=O)n3n(-c2nc2CCCCc12)c(=O)c1ccccc1c3=O Show InChI InChI=1S/C24H19N5O4/c25-20-17-10-3-4-11-18(17)26-22-19(20)21(13-6-5-7-14(12-13)29(32)33)27-23(30)15-8-1-2-9-16(15)24(31)28(22)27/h1-2,5-9,12,21H,3-4,10-11H2,(H2,25,26)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	140	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 using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 6 mi...				Eur J Med Chem 139: 280-289 (2017) Article DOI: 10.1016/j.ejmech.2017.07.072 BindingDB Entry DOI: 10.7270/Q2SX6GVB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50443514 (CHEMBL3087902) Show SMILES Oc1ccc2cc(C(=O)NCCC3CCN(Cc4ccccc4)CC3)c(=O)oc2c1 Show InChI InChI=1S/C24H26N2O4/c27-20-7-6-19-14-21(24(29)30-22(19)15-20)23(28)25-11-8-17-9-12-26(13-10-17)16-18-4-2-1-3-5-18/h1-7,14-15,17,27H,8-13,16H2,(H,25,28)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	143	n/a	n/a	n/a	n/a	n/a	n/a
Kerman University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylcholine as substrate preincubated for 15 mins prior to substrate addition by Ellman's method				Eur J Med Chem 70: 623-30 (2013) Article DOI: 10.1016/j.ejmech.2013.10.024 BindingDB Entry DOI: 10.7270/Q2GQ7070
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50457030 (CHEMBL4206121) Show SMILES Nc1c2C(c3cccc(O)c3)n3n(-c2nc2CCCCc12)c(=O)c1ccccc1c3=O Show InChI InChI=1S/C24H20N4O3/c25-20-17-10-3-4-11-18(17)26-22-19(20)21(13-6-5-7-14(29)12-13)27-23(30)15-8-1-2-9-16(15)24(31)28(22)27/h1-2,5-9,12,21,29H,3-4,10-11H2,(H2,25,26)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	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 using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 6 mi...				Eur J Med Chem 139: 280-289 (2017) Article DOI: 10.1016/j.ejmech.2017.07.072 BindingDB Entry DOI: 10.7270/Q2SX6GVB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50443522 (CHEMBL3087907) Show SMILES COc1ccc2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)c(=O)oc2c1 Show InChI InChI=1S/C23H24N2O4/c1-28-19-8-7-17-13-20(23(27)29-21(17)14-19)22(26)24-18-9-11-25(12-10-18)15-16-5-3-2-4-6-16/h2-8,13-14,18H,9-12,15H2,1H3,(H,24,26)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	183	n/a	n/a	n/a	n/a	n/a	n/a
Kerman University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylcholine as substrate preincubated for 15 mins prior to substrate addition by Ellman's method				Eur J Med Chem 70: 623-30 (2013) Article DOI: 10.1016/j.ejmech.2013.10.024 BindingDB Entry DOI: 10.7270/Q2GQ7070
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50457033 (CHEMBL4204269) Show SMILES Cc1ccccc1C1c2c(nc3CCCCc3c2N)-n2n1c(=O)c1ccccc1c2=O Show InChI InChI=1S/C25H22N4O2/c1-14-8-2-3-9-15(14)22-20-21(26)18-12-6-7-13-19(18)27-23(20)29-25(31)17-11-5-4-10-16(17)24(30)28(22)29/h2-5,8-11,22H,6-7,12-13H2,1H3,(H2,26,27)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	193	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 using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 6 mi...				Eur J Med Chem 139: 280-289 (2017) Article DOI: 10.1016/j.ejmech.2017.07.072 BindingDB Entry DOI: 10.7270/Q2SX6GVB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50457027 (CHEMBL4203909) Show SMILES Nc1c2C(c3cccc(Br)c3)n3n(-c2nc2CCCCc12)c(=O)c1ccccc1c3=O Show InChI InChI=1S/C24H19BrN4O2/c25-14-7-5-6-13(12-14)21-19-20(26)17-10-3-4-11-18(17)27-22(19)29-24(31)16-9-2-1-8-15(16)23(30)28(21)29/h1-2,5-9,12,21H,3-4,10-11H2,(H2,26,27)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	271	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 using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 6 mi...				Eur J Med Chem 139: 280-289 (2017) Article DOI: 10.1016/j.ejmech.2017.07.072 BindingDB Entry DOI: 10.7270/Q2SX6GVB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50457029 (CHEMBL4209859) Show SMILES Nc1c2C(c3ccccc3[N+]([O-])=O)n3n(-c2nc2CCCCc12)c(=O)c1ccccc1c3=O Show InChI InChI=1S/C24H19N5O4/c25-20-15-9-3-5-11-17(15)26-22-19(20)21(16-10-4-6-12-18(16)29(32)33)27-23(30)13-7-1-2-8-14(13)24(31)28(22)27/h1-2,4,6-8,10,12,21H,3,5,9,11H2,(H2,25,26)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	280	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 using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 6 mi...				Eur J Med Chem 139: 280-289 (2017) Article DOI: 10.1016/j.ejmech.2017.07.072 BindingDB Entry DOI: 10.7270/Q2SX6GVB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50457032 (CHEMBL4212290) Show SMILES Nc1c2C(c3ccc(cc3)[N+]([O-])=O)n3n(-c2nc2CCCCc12)c(=O)c1ccccc1c3=O Show InChI InChI=1S/C24H19N5O4/c25-20-17-7-3-4-8-18(17)26-22-19(20)21(13-9-11-14(12-10-13)29(32)33)27-23(30)15-5-1-2-6-16(15)24(31)28(22)27/h1-2,5-6,9-12,21H,3-4,7-8H2,(H2,25,26)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	310	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 using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 6 mi...				Eur J Med Chem 139: 280-289 (2017) Article DOI: 10.1016/j.ejmech.2017.07.072 BindingDB Entry DOI: 10.7270/Q2SX6GVB
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50443515 (CHEMBL3087901) Show SMILES COc1ccc2cc(C(=O)NCCC3CCN(Cc4ccccc4)CC3)c(=O)oc2c1 Show InChI InChI=1S/C25H28N2O4/c1-30-21-8-7-20-15-22(25(29)31-23(20)16-21)24(28)26-12-9-18-10-13-27(14-11-18)17-19-5-3-2-4-6-19/h2-8,15-16,18H,9-14,17H2,1H3,(H,26,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	357	n/a	n/a	n/a	n/a	n/a	n/a
Kerman University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 15 mins prior to substrate addition by Ellman's method				Eur J Med Chem 70: 623-30 (2013) Article DOI: 10.1016/j.ejmech.2013.10.024 BindingDB Entry DOI: 10.7270/Q2GQ7070
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	365	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 using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 6 mi...				Eur J Med Chem 139: 280-289 (2017) Article DOI: 10.1016/j.ejmech.2017.07.072 BindingDB Entry DOI: 10.7270/Q2SX6GVB
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50443519 (CHEMBL3087897) Show SMILES O=C(NCCC1CCN(Cc2ccccc2)CC1)c1cc2ccccc2oc1=O Show InChI InChI=1S/C24H26N2O3/c27-23(21-16-20-8-4-5-9-22(20)29-24(21)28)25-13-10-18-11-14-26(15-12-18)17-19-6-2-1-3-7-19/h1-9,16,18H,10-15,17H2,(H,25,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	371	n/a	n/a	n/a	n/a	n/a	n/a
Kerman University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 15 mins prior to substrate addition by Ellman's method				Eur J Med Chem 70: 623-30 (2013) Article DOI: 10.1016/j.ejmech.2013.10.024 BindingDB Entry DOI: 10.7270/Q2GQ7070
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50443518 (CHEMBL3087898) Show SMILES Brc1ccc2oc(=O)c(cc2c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C24H25BrN2O3/c25-20-6-7-22-19(14-20)15-21(24(29)30-22)23(28)26-11-8-17-9-12-27(13-10-17)16-18-4-2-1-3-5-18/h1-7,14-15,17H,8-13,16H2,(H,26,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
Kerman University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 15 mins prior to substrate addition by Ellman's method				Eur J Med Chem 70: 623-30 (2013) Article DOI: 10.1016/j.ejmech.2013.10.024 BindingDB Entry DOI: 10.7270/Q2GQ7070
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50443523 (CHEMBL3087906) Show SMILES [O-][N+](=O)c1ccc2oc(=O)c(cc2c1)C(=O)NC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C22H21N3O5/c26-21(19-13-16-12-18(25(28)29)6-7-20(16)30-22(19)27)23-17-8-10-24(11-9-17)14-15-4-2-1-3-5-15/h1-7,12-13,17H,8-11,14H2,(H,23,26)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
Kerman University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylcholine as substrate preincubated for 15 mins prior to substrate addition by Ellman's method				Eur J Med Chem 70: 623-30 (2013) Article DOI: 10.1016/j.ejmech.2013.10.024 BindingDB Entry DOI: 10.7270/Q2GQ7070
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50457013 (CHEMBL4213928) Show SMILES Cc1cccc(c1)C1c2c(nc3CCCCc3c2N)-n2n1c(=O)c1ccccc1c2=O Show InChI InChI=1S/C25H22N4O2/c1-14-7-6-8-15(13-14)22-20-21(26)18-11-4-5-12-19(18)27-23(20)29-25(31)17-10-3-2-9-16(17)24(30)28(22)29/h2-3,6-10,13,22H,4-5,11-12H2,1H3,(H2,26,27)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	467	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 using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 6 mi...				Eur J Med Chem 139: 280-289 (2017) Article DOI: 10.1016/j.ejmech.2017.07.072 BindingDB Entry DOI: 10.7270/Q2SX6GVB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50457022 (CHEMBL4208973) Show SMILES Nc1c2C(c3ccccc3Cl)n3n(-c2nc2CCCCc12)c(=O)c1ccccc1c3=O Show InChI InChI=1S/C24H19ClN4O2/c25-17-11-5-3-9-15(17)21-19-20(26)16-10-4-6-12-18(16)27-22(19)29-24(31)14-8-2-1-7-13(14)23(30)28(21)29/h1-3,5,7-9,11,21H,4,6,10,12H2,(H2,26,27)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	592	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 using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 6 mi...				Eur J Med Chem 139: 280-289 (2017) Article DOI: 10.1016/j.ejmech.2017.07.072 BindingDB Entry DOI: 10.7270/Q2SX6GVB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50457016 (CHEMBL4210767) Show SMILES Nc1c2C(c3ccccc3Br)n3n(-c2nc2CCCCc12)c(=O)c1ccccc1c3=O Show InChI InChI=1S/C24H19BrN4O2/c25-17-11-5-3-9-15(17)21-19-20(26)16-10-4-6-12-18(16)27-22(19)29-24(31)14-8-2-1-7-13(14)23(30)28(21)29/h1-3,5,7-9,11,21H,4,6,10,12H2,(H2,26,27)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	599	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 using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 6 mi...				Eur J Med Chem 139: 280-289 (2017) Article DOI: 10.1016/j.ejmech.2017.07.072 BindingDB Entry DOI: 10.7270/Q2SX6GVB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50457021 (CHEMBL4202878) Show SMILES CCCCCC1c2c(nc3CCCCc3c2N)-n2n1c(=O)c1ccccc1c2=O Show InChI InChI=1S/C23H26N4O2/c1-2-3-4-13-18-19-20(24)16-11-7-8-12-17(16)25-21(19)27-23(29)15-10-6-5-9-14(15)22(28)26(18)27/h5-6,9-10,18H,2-4,7-8,11-13H2,1H3,(H2,24,25)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	612	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 using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 6 mi...				Eur J Med Chem 139: 280-289 (2017) Article DOI: 10.1016/j.ejmech.2017.07.072 BindingDB Entry DOI: 10.7270/Q2SX6GVB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50457020 (CHEMBL4216504) Show SMILES Nc1c2C(c3ccccc3)n3n(-c2nc2CCCCc12)c(=O)c1ccccc1c3=O Show InChI InChI=1S/C24H20N4O2/c25-20-17-12-6-7-13-18(17)26-22-19(20)21(14-8-2-1-3-9-14)27-23(29)15-10-4-5-11-16(15)24(30)28(22)27/h1-5,8-11,21H,6-7,12-13H2,(H2,25,26)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	614	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 using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 6 mi...				Eur J Med Chem 139: 280-289 (2017) Article DOI: 10.1016/j.ejmech.2017.07.072 BindingDB Entry DOI: 10.7270/Q2SX6GVB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50457019 (CHEMBL4207471) Show SMILES Nc1c2C(c3ccccc3F)n3n(-c2nc2CCCCc12)c(=O)c1ccccc1c3=O Show InChI InChI=1S/C24H19FN4O2/c25-17-11-5-3-9-15(17)21-19-20(26)16-10-4-6-12-18(16)27-22(19)29-24(31)14-8-2-1-7-13(14)23(30)28(21)29/h1-3,5,7-9,11,21H,4,6,10,12H2,(H2,26,27)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	618	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 using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 6 mi...				Eur J Med Chem 139: 280-289 (2017) Article DOI: 10.1016/j.ejmech.2017.07.072 BindingDB Entry DOI: 10.7270/Q2SX6GVB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50443521 (CHEMBL3087908) Show SMILES COc1cccc2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)c(=O)oc12 Show InChI InChI=1S/C23H24N2O4/c1-28-20-9-5-8-17-14-19(23(27)29-21(17)20)22(26)24-18-10-12-25(13-11-18)15-16-6-3-2-4-7-16/h2-9,14,18H,10-13,15H2,1H3,(H,24,26)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	633	n/a	n/a	n/a	n/a	n/a	n/a
Kerman University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylcholine as substrate preincubated for 15 mins prior to substrate addition by Ellman's method				Eur J Med Chem 70: 623-30 (2013) Article DOI: 10.1016/j.ejmech.2013.10.024 BindingDB Entry DOI: 10.7270/Q2GQ7070
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50443525 (CHEMBL3087904) Show SMILES O=C(NC1CCN(Cc2ccccc2)CC1)c1cc2ccccc2oc1=O Show InChI InChI=1S/C22H22N2O3/c25-21(19-14-17-8-4-5-9-20(17)27-22(19)26)23-18-10-12-24(13-11-18)15-16-6-2-1-3-7-16/h1-9,14,18H,10-13,15H2,(H,23,25)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kerman University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylcholine as substrate preincubated for 15 mins prior to substrate addition by Ellman's method				Eur J Med Chem 70: 623-30 (2013) Article DOI: 10.1016/j.ejmech.2013.10.024 BindingDB Entry DOI: 10.7270/Q2GQ7070
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50457018 (CHEMBL4211075) Show SMILES CCCC1c2c(nc3CCCCc3c2N)-n2n1c(=O)c1ccccc1c2=O Show InChI InChI=1S/C21H22N4O2/c1-2-7-16-17-18(22)14-10-5-6-11-15(14)23-19(17)25-21(27)13-9-4-3-8-12(13)20(26)24(16)25/h3-4,8-9,16H,2,5-7,10-11H2,1H3,(H2,22,23)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.63E+3	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 using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 6 mi...				Eur J Med Chem 139: 280-289 (2017) Article DOI: 10.1016/j.ejmech.2017.07.072 BindingDB Entry DOI: 10.7270/Q2SX6GVB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50443520 (CHEMBL3087896) Show SMILES Oc1ccc2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)c(=O)oc2c1 Show InChI InChI=1S/C22H22N2O4/c25-18-7-6-16-12-19(22(27)28-20(16)13-18)21(26)23-17-8-10-24(11-9-17)14-15-4-2-1-3-5-15/h1-7,12-13,17,25H,8-11,14H2,(H,23,26)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kerman University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylcholine as substrate preincubated for 15 mins prior to substrate addition by Ellman's method				Eur J Med Chem 70: 623-30 (2013) Article DOI: 10.1016/j.ejmech.2013.10.024 BindingDB Entry DOI: 10.7270/Q2GQ7070
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50457017 (CHEMBL4208227) Show SMILES CC1c2c(nc3CCCCc3c2N)-n2n1c(=O)c1ccccc1c2=O Show InChI InChI=1S/C19H18N4O2/c1-10-15-16(20)13-8-4-5-9-14(13)21-17(15)23-19(25)12-7-3-2-6-11(12)18(24)22(10)23/h2-3,6-7,10H,4-5,8-9H2,1H3,(H2,20,21)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.15E+3	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 using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 6 mi...				Eur J Med Chem 139: 280-289 (2017) Article DOI: 10.1016/j.ejmech.2017.07.072 BindingDB Entry DOI: 10.7270/Q2SX6GVB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50457031 (CHEMBL4216769) Show SMILES COc1cc(OC)cc(c1)C1c2c(nc3CCCCc3c2N)-n2n1c(=O)c1ccccc1c2=O Show InChI InChI=1S/C26H24N4O4/c1-33-15-11-14(12-16(13-15)34-2)23-21-22(27)19-9-5-6-10-20(19)28-24(21)30-26(32)18-8-4-3-7-17(18)25(31)29(23)30/h3-4,7-8,11-13,23H,5-6,9-10H2,1-2H3,(H2,27,28)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.37E+3	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 using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 6 mi...				Eur J Med Chem 139: 280-289 (2017) Article DOI: 10.1016/j.ejmech.2017.07.072 BindingDB Entry DOI: 10.7270/Q2SX6GVB
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate pretreated for 5 mins followed by substrate addition by Ellman's method				Eur J Med Chem 152: 600-614 (2018) Article DOI: 10.1016/j.ejmech.2018.04.058 BindingDB Entry DOI: 10.7270/Q2WW7M8B
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.38E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kerman University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 15 mins prior to substrate addition by Ellman's method				Eur J Med Chem 70: 623-30 (2013) Article DOI: 10.1016/j.ejmech.2013.10.024 BindingDB Entry DOI: 10.7270/Q2GQ7070
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50406848 (CHEMBL4160630) Show SMILES Clc1ccc(cc1Cl)-c1cc2ccc(OCCCCCn3cc(CNC(=O)CCCCC4CCSS4)nn3)cc2oc1=O Show InChI InChI=1S/C31H34Cl2N4O4S2/c32-27-11-9-21(17-28(27)33)26-16-22-8-10-24(18-29(22)41-31(26)39)40-14-5-1-4-13-37-20-23(35-36-37)19-34-30(38)7-3-2-6-25-12-15-42-43-25/h8-11,16-18,20,25H,1-7,12-15,19H2,(H,34,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate pretreated for 5 mins followed by substrate addition by Ellman's method				Eur J Med Chem 152: 600-614 (2018) Article DOI: 10.1016/j.ejmech.2018.04.058 BindingDB Entry DOI: 10.7270/Q2WW7M8B
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50443517 (CHEMBL3087899) Show SMILES [O-][N+](=O)c1ccc2oc(=O)c(cc2c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C24H25N3O5/c28-23(21-15-19-14-20(27(30)31)6-7-22(19)32-24(21)29)25-11-8-17-9-12-26(13-10-17)16-18-4-2-1-3-5-18/h1-7,14-15,17H,8-13,16H2,(H,25,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kerman University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 15 mins prior to substrate addition by Ellman's method				Eur J Med Chem 70: 623-30 (2013) Article DOI: 10.1016/j.ejmech.2013.10.024 BindingDB Entry DOI: 10.7270/Q2GQ7070
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50406860 (CHEMBL4159985) Show SMILES Clc1ccc(cc1Cl)-c1cc2ccc(OCCCCn3cc(CNC(=O)CCCCC4CCSS4)nn3)cc2oc1=O Show InChI InChI=1S/C30H32Cl2N4O4S2/c31-26-10-8-20(16-27(26)32)25-15-21-7-9-23(17-28(21)40-30(25)38)39-13-4-3-12-36-19-22(34-35-36)18-33-29(37)6-2-1-5-24-11-14-41-42-24/h7-10,15-17,19,24H,1-6,11-14,18H2,(H,33,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate pretreated for 5 mins followed by substrate addition by Ellman's method				Eur J Med Chem 152: 600-614 (2018) Article DOI: 10.1016/j.ejmech.2018.04.058 BindingDB Entry DOI: 10.7270/Q2WW7M8B
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50443516 (CHEMBL3087900) Show SMILES Oc1ccc2oc(=O)c(cc2c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C24H26N2O4/c27-20-6-7-22-19(14-20)15-21(24(29)30-22)23(28)25-11-8-17-9-12-26(13-10-17)16-18-4-2-1-3-5-18/h1-7,14-15,17,27H,8-13,16H2,(H,25,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.56E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kerman University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 15 mins prior to substrate addition by Ellman's method				Eur J Med Chem 70: 623-30 (2013) Article DOI: 10.1016/j.ejmech.2013.10.024 BindingDB Entry DOI: 10.7270/Q2GQ7070
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50406864 (CHEMBL4161244) Show SMILES COc1ccc(cc1OC)-c1cc2ccc(OCCCn3cc(CNC(=O)CCCCC4CCSS4)nn3)cc2oc1=O Show InChI InChI=1S/C31H36N4O6S2/c1-38-27-11-9-21(17-29(27)39-2)26-16-22-8-10-24(18-28(22)41-31(26)37)40-14-5-13-35-20-23(33-34-35)19-32-30(36)7-4-3-6-25-12-15-42-43-25/h8-11,16-18,20,25H,3-7,12-15,19H2,1-2H3,(H,32,36)	UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.64E+4	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 using acetylthiocholine iodide as substrate pretreated for 5 mins followed by substrate addition by Ellman's method				Eur J Med Chem 152: 600-614 (2018) Article DOI: 10.1016/j.ejmech.2018.04.058 BindingDB Entry DOI: 10.7270/Q2WW7M8B
					More data for this Ligand-Target Pair

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