Compile Data Set for Download or QSAR

Found 63 hits with Last Name = 'ampasala' and Initial = 'dr'   

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))	BDBM50500457 (CHEMBL3746815) Show SMILES Cc1cc(=O)oc2c1ccc1oc(=N)c(cc21)C(=O)NCc1cccc(Br)c1 Show InChI InChI=1S/C21H15BrN2O4/c1-11-7-18(25)28-19-14(11)5-6-17-15(19)9-16(20(23)27-17)21(26)24-10-12-3-2-4-13(22)8-12/h2-9,23H,10H2,1H3,(H,24,26)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yogi Vemana University Curated by ChEMBL					Assay Description Mixed-type inhibition of electric eel AChE using acetylthiocholine iodide as substrate assessed as free enzyme preincubated for 5 mins followed by su...				Eur J Med Chem 107: 219-32 (2016) Article DOI: 10.1016/j.ejmech.2015.10.046 BindingDB Entry DOI: 10.7270/Q2JW8HWF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50500457 (CHEMBL3746815) Show SMILES Cc1cc(=O)oc2c1ccc1oc(=N)c(cc21)C(=O)NCc1cccc(Br)c1 Show InChI InChI=1S/C21H15BrN2O4/c1-11-7-18(25)28-19-14(11)5-6-17-15(19)9-16(20(23)27-17)21(26)24-10-12-3-2-4-13(22)8-12/h2-9,23H,10H2,1H3,(H,24,26)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yogi Vemana University Curated by ChEMBL					Assay Description Mixed-type inhibition of electric eel AChE using acetylthiocholine iodide as substrate assessed as enzyme-substrate complex preincubated for 5 mins f...				Eur J Med Chem 107: 219-32 (2016) Article DOI: 10.1016/j.ejmech.2015.10.046 BindingDB Entry DOI: 10.7270/Q2JW8HWF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50500457 (CHEMBL3746815) Show SMILES Cc1cc(=O)oc2c1ccc1oc(=N)c(cc21)C(=O)NCc1cccc(Br)c1 Show InChI InChI=1S/C21H15BrN2O4/c1-11-7-18(25)28-19-14(11)5-6-17-15(19)9-16(20(23)27-17)21(26)24-10-12-3-2-4-13(22)8-12/h2-9,23H,10H2,1H3,(H,24,26)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Yogi Vemana University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 m...				Eur J Med Chem 107: 219-32 (2016) Article DOI: 10.1016/j.ejmech.2015.10.046 BindingDB Entry DOI: 10.7270/Q2JW8HWF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM189377 (N-(4-(tert-butyl)benzyl)-8-imino-4-methyl-2-oxo-2H...) Show SMILES Cc1cc(=O)oc2c1ccc1oc(=N)c(cc21)C(=O)NCc1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C25H24N2O4/c1-14-11-21(28)31-22-17(14)9-10-20-18(22)12-19(23(26)30-20)24(29)27-13-15-5-7-16(8-6-15)25(2,3)4/h5-12,26H,13H2,1-4H3,(H,27,29)	UniProtKB/SwissProt GoogleScholar AffyNet	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
Yogi Vemana University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 m...				Eur J Med Chem 107: 219-32 (2016) Article DOI: 10.1016/j.ejmech.2015.10.046 BindingDB Entry DOI: 10.7270/Q2JW8HWF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50500467 (CHEMBL3745757) Show SMILES Cc1cc(=O)oc2c1ccc1oc(=N)c(cc21)C(=O)NCc1ccccc1Cl Show InChI InChI=1S/C21H15ClN2O4/c1-11-8-18(25)28-19-13(11)6-7-17-14(19)9-15(20(23)27-17)21(26)24-10-12-4-2-3-5-16(12)22/h2-9,23H,10H2,1H3,(H,24,26)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Yogi Vemana University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 m...				Eur J Med Chem 107: 219-32 (2016) Article DOI: 10.1016/j.ejmech.2015.10.046 BindingDB Entry DOI: 10.7270/Q2JW8HWF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM189374 (N-(3-bromobenzyl)-8-imino-2-oxo-2H,8H-pyrano[2,3-f...) Show SMILES Brc1cccc(CNC(=O)c2cc3c(ccc4ccc(=O)oc34)oc2=N)c1 Show InChI InChI=1S/C20H13BrN2O4/c21-13-3-1-2-11(8-13)10-23-20(25)15-9-14-16(26-19(15)22)6-4-12-5-7-17(24)27-18(12)14/h1-9,22H,10H2,(H,23,25)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	7.7	n/a
Yogi Vemana University					Assay Description In brief, reaction mixture composed of 10 µL of test sample of five different concentrations, 145 µL phosphate buffer 200 mM (pH 7.7), 80 µL of dithi...				Chem Biol Drug Des 88: 43-53 (2016) Article DOI: 10.1111/cbdd.12732 BindingDB Entry DOI: 10.7270/Q2HT2N4Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50500458 (CHEMBL3746565) Show SMILES Cc1cc(=O)oc2c1ccc1oc(=N)c(cc21)C(=O)NCc1ccccc1Br Show InChI InChI=1S/C21H15BrN2O4/c1-11-8-18(25)28-19-13(11)6-7-17-14(19)9-15(20(23)27-17)21(26)24-10-12-4-2-3-5-16(12)22/h2-9,23H,10H2,1H3,(H,24,26)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Yogi Vemana University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 m...				Eur J Med Chem 107: 219-32 (2016) Article DOI: 10.1016/j.ejmech.2015.10.046 BindingDB Entry DOI: 10.7270/Q2JW8HWF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50500456 (CHEMBL3747774) Show SMILES Cc1cc(=O)oc2c1ccc1oc(=N)c(cc21)C(=O)NCc1cccc(Cl)c1 Show InChI InChI=1S/C21H15ClN2O4/c1-11-7-18(25)28-19-14(11)5-6-17-15(19)9-16(20(23)27-17)21(26)24-10-12-3-2-4-13(22)8-12/h2-9,23H,10H2,1H3,(H,24,26)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Yogi Vemana University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 m...				Eur J Med Chem 107: 219-32 (2016) Article DOI: 10.1016/j.ejmech.2015.10.046 BindingDB Entry DOI: 10.7270/Q2JW8HWF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50500455 (CHEMBL3746856) Show SMILES CCCCCCCCCCCCNC(=O)c1cc2c(ccc3c(C)cc(=O)oc23)oc1=N Show InChI InChI=1S/C26H34N2O4/c1-3-4-5-6-7-8-9-10-11-12-15-28-26(30)21-17-20-22(31-25(21)27)14-13-19-18(2)16-23(29)32-24(19)20/h13-14,16-17,27H,3-12,15H2,1-2H3,(H,28,30)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Yogi Vemana University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 m...				Eur J Med Chem 107: 219-32 (2016) Article DOI: 10.1016/j.ejmech.2015.10.046 BindingDB Entry DOI: 10.7270/Q2JW8HWF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50500464 (CHEMBL3745983) Show SMILES Cc1cc(=O)oc2c1ccc1oc(=N)c(cc21)C(=O)NC1CCCCC1 Show InChI InChI=1S/C20H20N2O4/c1-11-9-17(23)26-18-13(11)7-8-16-14(18)10-15(19(21)25-16)20(24)22-12-5-3-2-4-6-12/h7-10,12,21H,2-6H2,1H3,(H,22,24)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Yogi Vemana University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 m...				Eur J Med Chem 107: 219-32 (2016) Article DOI: 10.1016/j.ejmech.2015.10.046 BindingDB Entry DOI: 10.7270/Q2JW8HWF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM189373 (N-(2-bromobenzyl)-8-imino-2-oxo-2H,8H-pyrano[2,3-f...) Show SMILES Brc1ccccc1CNC(=O)c1cc2c(ccc3ccc(=O)oc23)oc1=N Show InChI InChI=1S/C20H13BrN2O4/c21-15-4-2-1-3-12(15)10-23-20(25)14-9-13-16(26-19(14)22)7-5-11-6-8-17(24)27-18(11)13/h1-9,22H,10H2,(H,23,25)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	7.7	n/a
Yogi Vemana University					Assay Description In brief, reaction mixture composed of 10 µL of test sample of five different concentrations, 145 µL phosphate buffer 200 mM (pH 7.7), 80 µL of dithi...				Chem Biol Drug Des 88: 43-53 (2016) Article DOI: 10.1111/cbdd.12732 BindingDB Entry DOI: 10.7270/Q2HT2N4Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM189375 (N-(2-chlorobenzyl)-8-imino-2-oxo-2H,8H-pyrano[2,3-...) Show SMILES Clc1ccccc1CNC(=O)c1cc2c(ccc3ccc(=O)oc23)oc1=N Show InChI InChI=1S/C20H13ClN2O4/c21-15-4-2-1-3-12(15)10-23-20(25)14-9-13-16(26-19(14)22)7-5-11-6-8-17(24)27-18(11)13/h1-9,22H,10H2,(H,23,25)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	7.7	n/a
Yogi Vemana University					Assay Description In brief, reaction mixture composed of 10 µL of test sample of five different concentrations, 145 µL phosphate buffer 200 mM (pH 7.7), 80 µL of dithi...				Chem Biol Drug Des 88: 43-53 (2016) Article DOI: 10.1111/cbdd.12732 BindingDB Entry DOI: 10.7270/Q2HT2N4Z
					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	38	n/a	n/a	n/a	n/a	n/a	n/a
Yogi Vemana University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 m...				Eur J Med Chem 107: 219-32 (2016) Article DOI: 10.1016/j.ejmech.2015.10.046 BindingDB Entry DOI: 10.7270/Q2JW8HWF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM189377 (N-(4-(tert-butyl)benzyl)-8-imino-4-methyl-2-oxo-2H...) Show SMILES Cc1cc(=O)oc2c1ccc1oc(=N)c(cc21)C(=O)NCc1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C25H24N2O4/c1-14-11-21(28)31-22-17(14)9-10-20-18(22)12-19(23(26)30-20)24(29)27-13-15-5-7-16(8-6-15)25(2,3)4/h5-12,26H,13H2,1-4H3,(H,27,29)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	7.7	n/a
Yogi Vemana University					Assay Description In brief, reaction mixture composed of 10 µL of test sample of five different concentrations, 145 µL phosphate buffer 200 mM (pH 7.7), 80 µL of dithi...				Chem Biol Drug Des 88: 43-53 (2016) Article DOI: 10.1111/cbdd.12732 BindingDB Entry DOI: 10.7270/Q2HT2N4Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM189364 (N-dodecyl-8-imino-2-oxo-2H,8H-pyrano[2,3-f]chromen...) Show SMILES CCCCCCCCCCCCNC(=O)c1cc2c(ccc3ccc(=O)oc23)oc1=N Show InChI InChI=1S/C25H32N2O4/c1-2-3-4-5-6-7-8-9-10-11-16-27-25(29)20-17-19-21(30-24(20)26)14-12-18-13-15-22(28)31-23(18)19/h12-15,17,26H,2-11,16H2,1H3,(H,27,29)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	7.7	n/a
Yogi Vemana University					Assay Description In brief, reaction mixture composed of 10 µL of test sample of five different concentrations, 145 µL phosphate buffer 200 mM (pH 7.7), 80 µL of dithi...				Chem Biol Drug Des 88: 43-53 (2016) Article DOI: 10.1111/cbdd.12732 BindingDB Entry DOI: 10.7270/Q2HT2N4Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM189376 (N-(3-chlorobenzyl)-8-imino-2-oxo-2H,8H-pyrano[2,3-...) Show SMILES Clc1cccc(CNC(=O)c2cc3c(ccc4ccc(=O)oc34)oc2=N)c1 Show InChI InChI=1S/C20H13ClN2O4/c21-13-3-1-2-11(8-13)10-23-20(25)15-9-14-16(26-19(15)22)6-4-12-5-7-17(24)27-18(12)14/h1-9,22H,10H2,(H,23,25)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	88	n/a	n/a	n/a	n/a	7.7	n/a
Yogi Vemana University					Assay Description In brief, reaction mixture composed of 10 µL of test sample of five different concentrations, 145 µL phosphate buffer 200 mM (pH 7.7), 80 µL of dithi...				Chem Biol Drug Des 88: 43-53 (2016) Article DOI: 10.1111/cbdd.12732 BindingDB Entry DOI: 10.7270/Q2HT2N4Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50500469 (CHEMBL3746981) Show SMILES Cc1cc(=O)oc2c1ccc1oc(=N)c(cc21)C(=O)NC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C27H20N2O4/c1-16-14-23(30)33-25-19(16)12-13-22-20(25)15-21(26(28)32-22)27(31)29-24(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15,24,28H,1H3,(H,29,31)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Yogi Vemana University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 m...				Eur J Med Chem 107: 219-32 (2016) Article DOI: 10.1016/j.ejmech.2015.10.046 BindingDB Entry DOI: 10.7270/Q2JW8HWF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50500462 (CHEMBL3747348) Show SMILES Cc1cc(=O)oc2c1ccc1oc(=N)c(cc21)C(=O)N1CCOCC1 Show InChI InChI=1S/C18H16N2O5/c1-10-8-15(21)25-16-11(10)2-3-14-12(16)9-13(17(19)24-14)18(22)20-4-6-23-7-5-20/h2-3,8-9,19H,4-7H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	115	n/a	n/a	n/a	n/a	n/a	n/a
Yogi Vemana University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 m...				Eur J Med Chem 107: 219-32 (2016) Article DOI: 10.1016/j.ejmech.2015.10.046 BindingDB Entry DOI: 10.7270/Q2JW8HWF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM189366 (N-cyclohexyl-8-imino-2-oxo-2H,8H-pyrano[2,3-f]chro...) Show SMILES N=c1oc2ccc3ccc(=O)oc3c2cc1C(=O)NC1CCCCC1 Show InChI InChI=1S/C19H18N2O4/c20-18-14(19(23)21-12-4-2-1-3-5-12)10-13-15(24-18)8-6-11-7-9-16(22)25-17(11)13/h6-10,12,20H,1-5H2,(H,21,23)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	169	n/a	n/a	n/a	n/a	7.7	n/a
Yogi Vemana University					Assay Description In brief, reaction mixture composed of 10 µL of test sample of five different concentrations, 145 µL phosphate buffer 200 mM (pH 7.7), 80 µL of dithi...				Chem Biol Drug Des 88: 43-53 (2016) Article DOI: 10.1111/cbdd.12732 BindingDB Entry DOI: 10.7270/Q2HT2N4Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50500466 (CHEMBL3747027) Show SMILES Cc1cc(=O)oc2c1ccc1oc(=N)c(cc21)C(=O)Nc1ccccc1[N+]([O-])=O Show InChI InChI=1S/C20H13N3O6/c1-10-8-17(24)29-18-11(10)6-7-16-12(18)9-13(19(21)28-16)20(25)22-14-4-2-3-5-15(14)23(26)27/h2-9,21H,1H3,(H,22,25)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	226	n/a	n/a	n/a	n/a	n/a	n/a
Yogi Vemana University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 m...				Eur J Med Chem 107: 219-32 (2016) Article DOI: 10.1016/j.ejmech.2015.10.046 BindingDB Entry DOI: 10.7270/Q2JW8HWF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM189367 (8-imino-9-(morpholine-4-carbonyl)-2H,8H-pyrano[2,3...) Show SMILES N=c1oc2ccc3ccc(=O)oc3c2cc1C(=O)N1CCOCC1 Show InChI InChI=1S/C17H14N2O5/c18-16-12(17(21)19-5-7-22-8-6-19)9-11-13(23-16)3-1-10-2-4-14(20)24-15(10)11/h1-4,9,18H,5-8H2	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	226	n/a	n/a	n/a	n/a	7.7	n/a
Yogi Vemana University					Assay Description In brief, reaction mixture composed of 10 µL of test sample of five different concentrations, 145 µL phosphate buffer 200 mM (pH 7.7), 80 µL of dithi...				Chem Biol Drug Des 88: 43-53 (2016) Article DOI: 10.1111/cbdd.12732 BindingDB Entry DOI: 10.7270/Q2HT2N4Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50500468 (CHEMBL3745771) Show SMILES CC(NC(=O)c1cc2c(ccc3c(C)cc(=O)oc23)oc1=N)c1ccccc1 Show InChI InChI=1S/C22H18N2O4/c1-12-10-19(25)28-20-15(12)8-9-18-16(20)11-17(21(23)27-18)22(26)24-13(2)14-6-4-3-5-7-14/h3-11,13,23H,1-2H3,(H,24,26)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	247	n/a	n/a	n/a	n/a	n/a	n/a
Yogi Vemana University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 m...				Eur J Med Chem 107: 219-32 (2016) Article DOI: 10.1016/j.ejmech.2015.10.046 BindingDB Entry DOI: 10.7270/Q2JW8HWF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM189363 (N-ethyl-8-imino-2-oxo-2H,8H-pyrano[2,3-f]chromene-...) Show SMILES CCNC(=O)c1cc2c(ccc3ccc(=O)oc23)oc1=N Show InChI InChI=1S/C15H12N2O4/c1-2-17-15(19)10-7-9-11(20-14(10)16)5-3-8-4-6-12(18)21-13(8)9/h3-7,16H,2H2,1H3,(H,17,19)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	259	n/a	n/a	n/a	n/a	7.7	n/a
Yogi Vemana University					Assay Description In brief, reaction mixture composed of 10 µL of test sample of five different concentrations, 145 µL phosphate buffer 200 mM (pH 7.7), 80 µL of dithi...				Chem Biol Drug Des 88: 43-53 (2016) Article DOI: 10.1111/cbdd.12732 BindingDB Entry DOI: 10.7270/Q2HT2N4Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50500460 (CHEMBL3746173) Show SMILES CCNC(=O)c1cc2c(ccc3c(C)cc(=O)oc23)oc1=N Show InChI InChI=1S/C16H14N2O4/c1-3-18-16(20)11-7-10-12(21-15(11)17)5-4-9-8(2)6-13(19)22-14(9)10/h4-7,17H,3H2,1-2H3,(H,18,20)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	294	n/a	n/a	n/a	n/a	n/a	n/a
Yogi Vemana University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 m...				Eur J Med Chem 107: 219-32 (2016) Article DOI: 10.1016/j.ejmech.2015.10.046 BindingDB Entry DOI: 10.7270/Q2JW8HWF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM189372 (N-(2,4-dimethoxybenzyl)-8-imino-2-oxo-2H,8H-pyrano...) Show SMILES COc1ccc(CNC(=O)c2cc3c(ccc4ccc(=O)oc34)oc2=N)c(OC)c1 Show InChI InChI=1S/C22H18N2O6/c1-27-14-6-3-13(18(9-14)28-2)11-24-22(26)16-10-15-17(29-21(16)23)7-4-12-5-8-19(25)30-20(12)15/h3-10,23H,11H2,1-2H3,(H,24,26)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	7.7	n/a
Yogi Vemana University					Assay Description In brief, reaction mixture composed of 10 µL of test sample of five different concentrations, 145 µL phosphate buffer 200 mM (pH 7.7), 80 µL of dithi...				Chem Biol Drug Des 88: 43-53 (2016) Article DOI: 10.1111/cbdd.12732 BindingDB Entry DOI: 10.7270/Q2HT2N4Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50500459 (CHEMBL3747030) Show SMILES COc1ccc(CNC(=O)c2cc3c(ccc4c(C)cc(=O)oc34)oc2=N)c(OC)c1 Show InChI InChI=1S/C23H20N2O6/c1-12-8-20(26)31-21-15(12)6-7-18-16(21)10-17(22(24)30-18)23(27)25-11-13-4-5-14(28-2)9-19(13)29-3/h4-10,24H,11H2,1-3H3,(H,25,27)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	357	n/a	n/a	n/a	n/a	n/a	n/a
Yogi Vemana University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 m...				Eur J Med Chem 107: 219-32 (2016) Article DOI: 10.1016/j.ejmech.2015.10.046 BindingDB Entry DOI: 10.7270/Q2JW8HWF
					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	372	n/a	n/a	n/a	n/a	n/a	n/a
Yogi Vemana University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 m...				Eur J Med Chem 107: 219-32 (2016) Article DOI: 10.1016/j.ejmech.2015.10.046 BindingDB Entry DOI: 10.7270/Q2JW8HWF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM189371 (8-imino-N-(1-(4-methoxyphenyl)ethyl)-2-oxo-2H,8Hpy...) Show SMILES COc1ccc(cc1)C(C)NC(=O)c1cc2c(ccc3ccc(=O)oc23)oc1=N Show InChI InChI=1S/C22H18N2O5/c1-12(13-3-7-15(27-2)8-4-13)24-22(26)17-11-16-18(28-21(17)23)9-5-14-6-10-19(25)29-20(14)16/h3-12,23H,1-2H3,(H,24,26)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	7.7	n/a
Yogi Vemana University					Assay Description In brief, reaction mixture composed of 10 µL of test sample of five different concentrations, 145 µL phosphate buffer 200 mM (pH 7.7), 80 µL of dithi...				Chem Biol Drug Des 88: 43-53 (2016) Article DOI: 10.1111/cbdd.12732 BindingDB Entry DOI: 10.7270/Q2HT2N4Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM189362 (8-imino-N-methyl-2-oxo-2H,8H-pyrano[2,3-f]chromene...) Show SMILES CNC(=O)c1cc2c(ccc3ccc(=O)oc23)oc1=N Show InChI InChI=1S/C14H10N2O4/c1-16-14(18)9-6-8-10(19-13(9)15)4-2-7-3-5-11(17)20-12(7)8/h2-6,15H,1H3,(H,16,18)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	415	n/a	n/a	n/a	n/a	7.7	n/a
Yogi Vemana University					Assay Description In brief, reaction mixture composed of 10 µL of test sample of five different concentrations, 145 µL phosphate buffer 200 mM (pH 7.7), 80 µL of dithi...				Chem Biol Drug Des 88: 43-53 (2016) Article DOI: 10.1111/cbdd.12732 BindingDB Entry DOI: 10.7270/Q2HT2N4Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM189378 (8-imino-N-(2-(2-methoxyphenoxy)ethyl)-2-oxo-2H,8H-...) Show SMILES COc1ccccc1OCCNC(=O)c1cc2c(ccc3ccc(=O)oc23)oc1=N Show InChI InChI=1S/C22H18N2O6/c1-27-17-4-2-3-5-18(17)28-11-10-24-22(26)15-12-14-16(29-21(15)23)8-6-13-7-9-19(25)30-20(13)14/h2-9,12,23H,10-11H2,1H3,(H,24,26)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	7.7	n/a
Yogi Vemana University					Assay Description In brief, reaction mixture composed of 10 µL of test sample of five different concentrations, 145 µL phosphate buffer 200 mM (pH 7.7), 80 µL of dithi...				Chem Biol Drug Des 88: 43-53 (2016) Article DOI: 10.1111/cbdd.12732 BindingDB Entry DOI: 10.7270/Q2HT2N4Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM189369 (8-imino-2-oxo-N-(1-phenylethyl)-2H,8H-pyrano[2,3-f...) Show SMILES CC(NC(=O)c1cc2c(ccc3ccc(=O)oc23)oc1=N)c1ccccc1 Show InChI InChI=1S/C21H16N2O4/c1-12(13-5-3-2-4-6-13)23-21(25)16-11-15-17(26-20(16)22)9-7-14-8-10-18(24)27-19(14)15/h2-12,22H,1H3,(H,23,25)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	462	n/a	n/a	n/a	n/a	7.7	n/a
Yogi Vemana University					Assay Description In brief, reaction mixture composed of 10 µL of test sample of five different concentrations, 145 µL phosphate buffer 200 mM (pH 7.7), 80 µL of dithi...				Chem Biol Drug Des 88: 43-53 (2016) Article DOI: 10.1111/cbdd.12732 BindingDB Entry DOI: 10.7270/Q2HT2N4Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM189368 (N-benzyl-8-imino-2-oxo-2H,8H-pyrano[2,3-f]chromene...) Show SMILES N=c1oc2ccc3ccc(=O)oc3c2cc1C(=O)NCc1ccccc1 Show InChI InChI=1S/C20H14N2O4/c21-19-15(20(24)22-11-12-4-2-1-3-5-12)10-14-16(25-19)8-6-13-7-9-17(23)26-18(13)14/h1-10,21H,11H2,(H,22,24)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	497	n/a	n/a	n/a	n/a	7.7	n/a
Yogi Vemana University					Assay Description In brief, reaction mixture composed of 10 µL of test sample of five different concentrations, 145 µL phosphate buffer 200 mM (pH 7.7), 80 µL of dithi...				Chem Biol Drug Des 88: 43-53 (2016) Article DOI: 10.1111/cbdd.12732 BindingDB Entry DOI: 10.7270/Q2HT2N4Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM10404 ((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...) Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12| Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	665	n/a	n/a	n/a	n/a	7.7	n/a
Yogi Vemana University					Assay Description In brief, reaction mixture composed of 10 µL of test sample of five different concentrations, 145 µL phosphate buffer 200 mM (pH 7.7), 80 µL of dithi...				Chem Biol Drug Des 88: 43-53 (2016) Article DOI: 10.1111/cbdd.12732 BindingDB Entry DOI: 10.7270/Q2HT2N4Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM10404 ((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...) Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12| Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	665	n/a	n/a	n/a	n/a	n/a	n/a
Yogi Vemana University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 m...				Eur J Med Chem 107: 219-32 (2016) Article DOI: 10.1016/j.ejmech.2015.10.046 BindingDB Entry DOI: 10.7270/Q2JW8HWF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM189370 (N-benzhydryl-8-imino-2-oxo-2H,8H-pyrano[2,3-f]chro...) Show SMILES N=c1oc2ccc3ccc(=O)oc3c2cc1C(=O)NC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C26H18N2O4/c27-25-20(15-19-21(31-25)13-11-18-12-14-22(29)32-24(18)19)26(30)28-23(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-15,23,27H,(H,28,30)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	669	n/a	n/a	n/a	n/a	7.7	n/a
Yogi Vemana University					Assay Description In brief, reaction mixture composed of 10 µL of test sample of five different concentrations, 145 µL phosphate buffer 200 mM (pH 7.7), 80 µL of dithi...				Chem Biol Drug Des 88: 43-53 (2016) Article DOI: 10.1111/cbdd.12732 BindingDB Entry DOI: 10.7270/Q2HT2N4Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM189365 (N-cyclopropyl-8-imino-2-oxo-2H,8H-pyrano[2,3-f]chr...) Show SMILES N=c1oc2ccc3ccc(=O)oc3c2cc1C(=O)NC1CC1 Show InChI InChI=1S/C16H12N2O4/c17-15-11(16(20)18-9-3-4-9)7-10-12(21-15)5-1-8-2-6-13(19)22-14(8)10/h1-2,5-7,9,17H,3-4H2,(H,18,20)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	799	n/a	n/a	n/a	n/a	7.7	n/a
Yogi Vemana University					Assay Description In brief, reaction mixture composed of 10 µL of test sample of five different concentrations, 145 µL phosphate buffer 200 mM (pH 7.7), 80 µL of dithi...				Chem Biol Drug Des 88: 43-53 (2016) Article DOI: 10.1111/cbdd.12732 BindingDB Entry DOI: 10.7270/Q2HT2N4Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50500452 (CHEMBL3746215) Show SMILES Cc1cc(=O)oc2c1ccc1oc(=N)c(cc21)C(=O)NC1CC1 Show InChI InChI=1S/C17H14N2O4/c1-8-6-14(20)23-15-10(8)4-5-13-11(15)7-12(16(18)22-13)17(21)19-9-2-3-9/h4-7,9,18H,2-3H2,1H3,(H,19,21)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	910	n/a	n/a	n/a	n/a	n/a	n/a
Yogi Vemana University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 m...				Eur J Med Chem 107: 219-32 (2016) Article DOI: 10.1016/j.ejmech.2015.10.046 BindingDB Entry DOI: 10.7270/Q2JW8HWF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50500463 (CHEMBL3746086) Show SMILES Cc1cc(=O)oc2c1ccc1oc(=N)c(cc21)C(=O)N1CCCC1 Show InChI InChI=1S/C18H16N2O4/c1-10-8-15(21)24-16-11(10)4-5-14-12(16)9-13(17(19)23-14)18(22)20-6-2-3-7-20/h4-5,8-9,19H,2-3,6-7H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	984	n/a	n/a	n/a	n/a	n/a	n/a
Yogi Vemana University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 m...				Eur J Med Chem 107: 219-32 (2016) Article DOI: 10.1016/j.ejmech.2015.10.046 BindingDB Entry DOI: 10.7270/Q2JW8HWF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50500454 (CHEMBL3746327) Show SMILES CNC(=O)c1cc2c(ccc3c(C)cc(=O)oc23)oc1=N Show InChI InChI=1S/C15H12N2O4/c1-7-5-12(18)21-13-8(7)3-4-11-9(13)6-10(14(16)20-11)15(19)17-2/h3-6,16H,1-2H3,(H,17,19)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Yogi Vemana University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 m...				Eur J Med Chem 107: 219-32 (2016) Article DOI: 10.1016/j.ejmech.2015.10.046 BindingDB Entry DOI: 10.7270/Q2JW8HWF
					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	1.77E+3	n/a	n/a	n/a	n/a	n/a	n/a
Yogi Vemana University Curated by ChEMBL					Assay Description Inhibition of horse serum butyrylcholinesterase using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition m...				Eur J Med Chem 107: 219-32 (2016) Article DOI: 10.1016/j.ejmech.2015.10.046 BindingDB Entry DOI: 10.7270/Q2JW8HWF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50500461 (CHEMBL3746509) Show SMILES COc1ccc(cc1)C(C)NC(=O)c1cc2c(ccc3c(C)cc(=O)oc23)oc1=N Show InChI InChI=1S/C23H20N2O5/c1-12-10-20(26)30-21-16(12)8-9-19-17(21)11-18(22(24)29-19)23(27)25-13(2)14-4-6-15(28-3)7-5-14/h4-11,13,24H,1-3H3,(H,25,27)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Yogi Vemana University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 m...				Eur J Med Chem 107: 219-32 (2016) Article DOI: 10.1016/j.ejmech.2015.10.046 BindingDB Entry DOI: 10.7270/Q2JW8HWF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50500465 (CHEMBL3747234) Show SMILES Cc1cc(=O)oc2c1ccc1oc(=N)c(cc21)C(=O)NCc1ccccc1 Show InChI InChI=1S/C21H16N2O4/c1-12-9-18(24)27-19-14(12)7-8-17-15(19)10-16(20(22)26-17)21(25)23-11-13-5-3-2-4-6-13/h2-10,22H,11H2,1H3,(H,23,25)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
Yogi Vemana University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 m...				Eur J Med Chem 107: 219-32 (2016) Article DOI: 10.1016/j.ejmech.2015.10.046 BindingDB Entry DOI: 10.7270/Q2JW8HWF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50500453 (CHEMBL3746191) Show SMILES COc1ccccc1OCCNC(=O)c1cc2c(ccc3c(C)cc(=O)oc23)oc1=N Show InChI InChI=1S/C23H20N2O6/c1-13-11-20(26)31-21-14(13)7-8-17-15(21)12-16(22(24)30-17)23(27)25-9-10-29-19-6-4-3-5-18(19)28-2/h3-8,11-12,24H,9-10H2,1-2H3,(H,25,27)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Yogi Vemana University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 m...				Eur J Med Chem 107: 219-32 (2016) Article DOI: 10.1016/j.ejmech.2015.10.046 BindingDB Entry DOI: 10.7270/Q2JW8HWF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM11682 (2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...) Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C |r| Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Yogi Vemana University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 m...				Eur J Med Chem 107: 219-32 (2016) Article DOI: 10.1016/j.ejmech.2015.10.046 BindingDB Entry DOI: 10.7270/Q2JW8HWF
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM11682 (2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...) Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C |r| Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Yogi Vemana University Curated by ChEMBL					Assay Description Inhibition of horse serum butyrylcholinesterase using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition m...				Eur J Med Chem 107: 219-32 (2016) Article DOI: 10.1016/j.ejmech.2015.10.046 BindingDB Entry DOI: 10.7270/Q2JW8HWF
					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	7.69E+3	n/a	n/a	n/a	n/a	n/a	n/a
Yogi Vemana University Curated by ChEMBL					Assay Description Inhibition of horse serum butyrylcholinesterase using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition m...				Eur J Med Chem 107: 219-32 (2016) Article DOI: 10.1016/j.ejmech.2015.10.046 BindingDB Entry DOI: 10.7270/Q2JW8HWF
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50500460 (CHEMBL3746173) Show SMILES CCNC(=O)c1cc2c(ccc3c(C)cc(=O)oc23)oc1=N Show InChI InChI=1S/C16H14N2O4/c1-3-18-16(20)11-7-10-12(21-15(11)17)5-4-9-8(2)6-13(19)22-14(9)10/h4-7,17H,3H2,1-2H3,(H,18,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.13E+4	n/a	n/a	n/a	n/a	n/a	n/a
Yogi Vemana University Curated by ChEMBL					Assay Description Inhibition of horse serum butyrylcholinesterase using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition m...				Eur J Med Chem 107: 219-32 (2016) Article DOI: 10.1016/j.ejmech.2015.10.046 BindingDB Entry DOI: 10.7270/Q2JW8HWF
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM10404 ((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...) Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12| Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.98E+4	n/a	n/a	n/a	n/a	n/a	n/a
Yogi Vemana University Curated by ChEMBL					Assay Description Inhibition of horse serum butyrylcholinesterase using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition m...				Eur J Med Chem 107: 219-32 (2016) Article DOI: 10.1016/j.ejmech.2015.10.046 BindingDB Entry DOI: 10.7270/Q2JW8HWF
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50500453 (CHEMBL3746191) Show SMILES COc1ccccc1OCCNC(=O)c1cc2c(ccc3c(C)cc(=O)oc23)oc1=N Show InChI InChI=1S/C23H20N2O6/c1-13-11-20(26)31-21-14(13)7-8-17-15(21)12-16(22(24)30-17)23(27)25-9-10-29-19-6-4-3-5-18(19)28-2/h3-8,11-12,24H,9-10H2,1-2H3,(H,25,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.48E+4	n/a	n/a	n/a	n/a	n/a	n/a
Yogi Vemana University Curated by ChEMBL					Assay Description Inhibition of horse serum butyrylcholinesterase using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition m...				Eur J Med Chem 107: 219-32 (2016) Article DOI: 10.1016/j.ejmech.2015.10.046 BindingDB Entry DOI: 10.7270/Q2JW8HWF
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50500468 (CHEMBL3745771) Show SMILES CC(NC(=O)c1cc2c(ccc3c(C)cc(=O)oc23)oc1=N)c1ccccc1 Show InChI InChI=1S/C22H18N2O4/c1-12-10-19(25)28-20-15(12)8-9-18-16(20)11-17(21(23)27-18)22(26)24-13(2)14-6-4-3-5-7-14/h3-11,13,23H,1-2H3,(H,24,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.58E+4	n/a	n/a	n/a	n/a	n/a	n/a
Yogi Vemana University Curated by ChEMBL					Assay Description Inhibition of horse serum butyrylcholinesterase using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition m...				Eur J Med Chem 107: 219-32 (2016) Article DOI: 10.1016/j.ejmech.2015.10.046 BindingDB Entry DOI: 10.7270/Q2JW8HWF
					More data for this Ligand-Target Pair

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