Compile Data Set for Download or QSAR

Found 100 hits with Last Name = 'eckroat' and Initial = 'tj'   

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))	BDBM50435279 (CHEMBL2393107) Show SMILES Cc1cccc(Nc2ccccc2C(=O)NCCCCCC(=O)NCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1C Show InChI InChI=1S/C38H46ClN5O2/c1-26-13-12-18-32(27(26)2)43-34-17-8-6-15-31(34)38(46)42-24-9-3-4-19-36(45)40-22-10-11-23-41-37-29-14-5-7-16-33(29)44-35-25-28(39)20-21-30(35)37/h6,8,12-13,15,17-18,20-21,25,43H,3-5,7,9-11,14,16,19,22-24H2,1-2H3,(H,40,45)(H,41,44)(H,42,46)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.299	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS co...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435270 (CHEMBL2393227) Show SMILES Cc1cccc(Nc2ccccc2C(=O)NCCCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1C Show InChI InChI=1S/C36H43ClN4O/c1-25-14-13-19-31(26(25)2)40-33-18-10-8-16-30(33)36(42)39-23-12-6-4-3-5-11-22-38-35-28-15-7-9-17-32(28)41-34-24-27(37)20-21-29(34)35/h8,10,13-14,16,18-21,24,40H,3-7,9,11-12,15,17,22-23H2,1-2H3,(H,38,41)(H,39,42)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.495	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 10 mins prior to substrate addition measured every 30 seconds f...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435291 (CHEMBL2393095) Show SMILES NCCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C22H32ClN3/c23-17-12-13-19-21(16-17)26-20-11-7-6-10-18(20)22(19)25-15-9-5-3-1-2-4-8-14-24/h12-13,16H,1-11,14-15,24H2,(H,25,26)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.604	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 10 mins prior to substrate addition measured every 30 seconds f...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435289 (CHEMBL2393097) Show SMILES NCCCCCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C25H38ClN3/c26-20-15-16-22-24(19-20)29-23-14-10-9-13-21(23)25(22)28-18-12-8-6-4-2-1-3-5-7-11-17-27/h15-16,19H,1-14,17-18,27H2,(H,28,29)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.648	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 10 mins prior to substrate addition measured every 30 seconds f...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435268 (CHEMBL2393229) Show SMILES Cc1cccc(Nc2ccccc2C(=O)NCCCCCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1C Show InChI InChI=1S/C38H47ClN4O/c1-27-16-15-21-33(28(27)2)42-35-20-12-10-18-32(35)38(44)41-25-14-8-6-4-3-5-7-13-24-40-37-30-17-9-11-19-34(30)43-36-26-29(39)22-23-31(36)37/h10,12,15-16,18,20-23,26,42H,3-9,11,13-14,17,19,24-25H2,1-2H3,(H,40,43)(H,41,44)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.776	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 10 mins prior to substrate addition measured every 30 seconds f...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435290 (CHEMBL2393096) Show SMILES NCCCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C23H34ClN3/c24-18-13-14-20-22(17-18)27-21-12-8-7-11-19(21)23(20)26-16-10-6-4-2-1-3-5-9-15-25/h13-14,17H,1-12,15-16,25H2,(H,26,27)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.932	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 10 mins prior to substrate addition measured every 30 seconds f...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435278 (CHEMBL2393108) Show SMILES Cc1cccc(Nc2ccccc2C(=O)NCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1C Show InChI InChI=1S/C34H39ClN4O/c1-23-12-11-17-29(24(23)2)38-31-16-8-6-14-28(31)34(40)37-21-10-4-3-9-20-36-33-26-13-5-7-15-30(26)39-32-22-25(35)18-19-27(32)33/h6,8,11-12,14,16-19,22,38H,3-5,7,9-10,13,15,20-21H2,1-2H3,(H,36,39)(H,37,40)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS co...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435277 (CHEMBL2393109) Show SMILES Cc1cccc(Nc2ccccc2C(=O)NCCC(=O)NCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1C Show InChI InChI=1S/C37H44ClN5O2/c1-25-12-11-17-31(26(25)2)42-33-16-8-6-14-30(33)37(45)41-23-20-35(44)39-21-9-3-4-10-22-40-36-28-13-5-7-15-32(28)43-34-24-27(38)18-19-29(34)36/h6,8,11-12,14,16-19,24,42H,3-5,7,9-10,13,15,20-23H2,1-2H3,(H,39,44)(H,40,43)(H,41,45)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 10 mins prior to substrate addition measured every 30 seconds f...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435292 (CHEMBL2393094) Show SMILES NCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C21H30ClN3/c22-16-11-12-18-20(15-16)25-19-10-6-5-9-17(19)21(18)24-14-8-4-2-1-3-7-13-23/h11-12,15H,1-10,13-14,23H2,(H,24,25)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 10 mins prior to substrate addition measured every 30 seconds f...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435291 (CHEMBL2393095) Show SMILES NCCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C22H32ClN3/c23-17-12-13-19-21(16-17)26-20-11-7-6-10-18(20)22(19)25-15-9-5-3-1-2-4-8-14-24/h12-13,16H,1-11,14-15,24H2,(H,25,26)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS co...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435289 (CHEMBL2393097) Show SMILES NCCCCCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C25H38ClN3/c26-20-15-16-22-24(19-20)29-23-14-10-9-13-21(23)25(22)28-18-12-8-6-4-2-1-3-5-7-11-17-27/h15-16,19H,1-14,17-18,27H2,(H,28,29)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS co...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435270 (CHEMBL2393227) Show SMILES Cc1cccc(Nc2ccccc2C(=O)NCCCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1C Show InChI InChI=1S/C36H43ClN4O/c1-25-14-13-19-31(26(25)2)40-33-18-10-8-16-30(33)36(42)39-23-12-6-4-3-5-11-22-38-35-28-15-7-9-17-32(28)41-34-24-27(37)20-21-29(34)35/h8,10,13-14,16,18-21,24,40H,3-7,9,11-12,15,17,22-23H2,1-2H3,(H,38,41)(H,39,42)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS co...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435268 (CHEMBL2393229) Show SMILES Cc1cccc(Nc2ccccc2C(=O)NCCCCCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1C Show InChI InChI=1S/C38H47ClN4O/c1-27-16-15-21-33(28(27)2)42-35-20-12-10-18-32(35)38(44)41-25-14-8-6-4-3-5-7-13-24-40-37-30-17-9-11-19-34(30)43-36-26-29(39)22-23-31(36)37/h10,12,15-16,18,20-23,26,42H,3-9,11,13-14,17,19,24-25H2,1-2H3,(H,40,43)(H,41,44)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS co...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					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	1.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.129037 BindingDB Entry DOI: 10.7270/Q2W381DJ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM9002 (6-chloro-N-heptyl-1,2,3,4-tetrahydroacridin-9-amin...) Show SMILES CCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C20H27ClN2/c1-2-3-4-5-8-13-22-20-16-9-6-7-10-18(16)23-19-14-15(21)11-12-17(19)20/h11-12,14H,2-10,13H2,1H3,(H,22,23)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase 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
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS co...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435290 (CHEMBL2393096) Show SMILES NCCCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C23H34ClN3/c24-18-13-14-20-22(17-18)27-21-12-8-7-11-19(21)23(20)26-16-10-6-4-2-1-3-5-9-15-25/h13-14,17H,1-12,15-16,25H2,(H,26,27)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS co...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435285 (CHEMBL2393101) Show SMILES CCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C22H31ClN2/c1-2-3-4-5-6-7-10-15-24-22-18-11-8-9-12-20(18)25-21-16-17(23)13-14-19(21)22/h13-14,16H,2-12,15H2,1H3,(H,24,25)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 10 mins prior to substrate addition measured every 30 seconds f...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435282 (CHEMBL2393104) Show SMILES OCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C19H25ClN2O/c20-14-9-10-16-18(13-14)22-17-8-4-3-7-15(17)19(16)21-11-5-1-2-6-12-23/h9-10,13,23H,1-8,11-12H2,(H,21,22)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS co...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435275 (CHEMBL2393111) Show SMILES Cc1cccc(Nc2ccccc2C(=O)NCCCCCC(=O)NCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1C Show InChI InChI=1S/C40H50ClN5O2/c1-28-15-14-20-34(29(28)2)45-36-19-10-8-17-33(36)40(48)44-26-13-5-6-21-38(47)42-24-11-3-4-12-25-43-39-31-16-7-9-18-35(31)46-37-27-30(41)22-23-32(37)39/h8,10,14-15,17,19-20,22-23,27,45H,3-7,9,11-13,16,18,21,24-26H2,1-2H3,(H,42,47)(H,43,46)(H,44,48)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 10 mins prior to substrate addition measured every 30 seconds f...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435277 (CHEMBL2393109) Show SMILES Cc1cccc(Nc2ccccc2C(=O)NCCC(=O)NCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1C Show InChI InChI=1S/C37H44ClN5O2/c1-25-12-11-17-31(26(25)2)42-33-16-8-6-14-30(33)37(45)41-23-20-35(44)39-21-9-3-4-10-22-40-36-28-13-5-7-15-32(28)43-34-24-27(38)18-19-29(34)36/h6,8,11-12,14,16-19,24,42H,3-5,7,9-10,13,15,20-23H2,1-2H3,(H,39,44)(H,40,43)(H,41,45)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS co...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435284 (CHEMBL2393102) Show SMILES CCCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C23H33ClN2/c1-2-3-4-5-6-7-8-11-16-25-23-19-12-9-10-13-21(19)26-22-17-18(24)14-15-20(22)23/h14-15,17H,2-13,16H2,1H3,(H,25,26)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 10 mins prior to substrate addition measured every 30 seconds f...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435293 (CHEMBL2393093) Show SMILES NCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C20H28ClN3/c21-15-10-11-17-19(14-15)24-18-9-5-4-8-16(18)20(17)23-13-7-3-1-2-6-12-22/h10-11,14H,1-9,12-13,22H2,(H,23,24)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 10 mins prior to substrate addition measured every 30 seconds f...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435272 (CHEMBL2393225) Show SMILES Cc1cccc(Nc2ccccc2C(=O)NCCCC(=O)NCCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1C Show InChI InChI=1S/C39H48ClN5O2/c1-27-14-12-19-33(28(27)2)44-35-18-9-7-16-32(35)39(47)43-25-13-20-37(46)41-23-10-4-3-5-11-24-42-38-30-15-6-8-17-34(30)45-36-26-29(40)21-22-31(36)38/h7,9,12,14,16,18-19,21-22,26,44H,3-6,8,10-11,13,15,17,20,23-25H2,1-2H3,(H,41,46)(H,42,45)(H,43,47)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS co...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435273 (CHEMBL2393224) Show SMILES Cc1cccc(Nc2ccccc2C(=O)NCCC(=O)NCCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1C Show InChI InChI=1S/C38H46ClN5O2/c1-26-13-12-18-32(27(26)2)43-34-17-9-7-15-31(34)38(46)42-24-21-36(45)40-22-10-4-3-5-11-23-41-37-29-14-6-8-16-33(29)44-35-25-28(39)19-20-30(35)37/h7,9,12-13,15,17-20,25,43H,3-6,8,10-11,14,16,21-24H2,1-2H3,(H,40,45)(H,41,44)(H,42,46)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 10 mins prior to substrate addition measured every 30 seconds f...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435269 (CHEMBL2393228) Show SMILES Cc1cccc(Nc2ccccc2C(=O)NCCCCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1C Show InChI InChI=1S/C37H45ClN4O/c1-26-15-14-20-32(27(26)2)41-34-19-11-9-17-31(34)37(43)40-24-13-7-5-3-4-6-12-23-39-36-29-16-8-10-18-33(29)42-35-25-28(38)21-22-30(35)36/h9,11,14-15,17,19-22,25,41H,3-8,10,12-13,16,18,23-24H2,1-2H3,(H,39,42)(H,40,43)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS co...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435269 (CHEMBL2393228) Show SMILES Cc1cccc(Nc2ccccc2C(=O)NCCCCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1C Show InChI InChI=1S/C37H45ClN4O/c1-26-15-14-20-32(27(26)2)41-34-19-11-9-17-31(34)37(43)40-24-13-7-5-3-4-6-12-23-39-36-29-16-8-10-18-33(29)42-35-25-28(38)21-22-30(35)36/h9,11,14-15,17,19-22,25,41H,3-8,10,12-13,16,18,23-24H2,1-2H3,(H,39,42)(H,40,43)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 10 mins prior to substrate addition measured every 30 seconds f...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435275 (CHEMBL2393111) Show SMILES Cc1cccc(Nc2ccccc2C(=O)NCCCCCC(=O)NCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1C Show InChI InChI=1S/C40H50ClN5O2/c1-28-15-14-20-34(29(28)2)45-36-19-10-8-17-33(36)40(48)44-26-13-5-6-21-38(47)42-24-11-3-4-12-25-43-39-31-16-7-9-18-35(31)46-37-27-30(41)22-23-32(37)39/h8,10,14-15,17,19-20,22-23,27,45H,3-7,9,11-13,16,18,21,24-26H2,1-2H3,(H,42,47)(H,43,46)(H,44,48)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS co...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435272 (CHEMBL2393225) Show SMILES Cc1cccc(Nc2ccccc2C(=O)NCCCC(=O)NCCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1C Show InChI InChI=1S/C39H48ClN5O2/c1-27-14-12-19-33(28(27)2)44-35-18-9-7-16-32(35)39(47)43-25-13-20-37(46)41-23-10-4-3-5-11-24-42-38-30-15-6-8-17-34(30)45-36-26-29(40)21-22-31(36)38/h7,9,12,14,16,18-19,21-22,26,44H,3-6,8,10-11,13,15,17,20,23-25H2,1-2H3,(H,41,46)(H,42,45)(H,43,47)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 10 mins prior to substrate addition measured every 30 seconds f...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435294 (CHEMBL2393092) Show SMILES NCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C19H26ClN3/c20-14-9-10-16-18(13-14)23-17-8-4-3-7-15(17)19(16)22-12-6-2-1-5-11-21/h9-10,13H,1-8,11-12,21H2,(H,22,23)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS co...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435286 (CHEMBL2393100) Show SMILES CCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C21H29ClN2/c1-2-3-4-5-6-9-14-23-21-17-10-7-8-11-19(17)24-20-15-16(22)12-13-18(20)21/h12-13,15H,2-11,14H2,1H3,(H,23,24)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS co...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435273 (CHEMBL2393224) Show SMILES Cc1cccc(Nc2ccccc2C(=O)NCCC(=O)NCCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1C Show InChI InChI=1S/C38H46ClN5O2/c1-26-13-12-18-32(27(26)2)43-34-17-9-7-15-31(34)38(46)42-24-21-36(45)40-22-10-4-3-5-11-23-41-37-29-14-6-8-16-33(29)44-35-25-28(39)19-20-30(35)37/h7,9,12-13,15,17-20,25,43H,3-6,8,10-11,14,16,21-24H2,1-2H3,(H,40,45)(H,41,44)(H,42,46)	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
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS co...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435294 (CHEMBL2393092) Show SMILES NCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C19H26ClN3/c20-14-9-10-16-18(13-14)23-17-8-4-3-7-15(17)19(16)22-12-6-2-1-5-11-21/h9-10,13H,1-8,11-12,21H2,(H,22,23)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 10 mins prior to substrate addition measured every 30 seconds f...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435271 (CHEMBL2393226) Show SMILES Cc1cccc(Nc2ccccc2C(=O)NCCCCCC(=O)NCCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1C Show InChI InChI=1S/C41H52ClN5O2/c1-29-16-15-21-35(30(29)2)46-37-20-11-9-18-34(37)41(49)45-27-14-6-7-22-39(48)43-25-12-4-3-5-13-26-44-40-32-17-8-10-19-36(32)47-38-28-31(42)23-24-33(38)40/h9,11,15-16,18,20-21,23-24,28,46H,3-8,10,12-14,17,19,22,25-27H2,1-2H3,(H,43,48)(H,44,47)(H,45,49)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 10 mins prior to substrate addition measured every 30 seconds f...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435280 (CHEMBL2393106) Show SMILES Cc1cccc(Nc2ccccc2C(=O)NCCCC(=O)NCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1C Show InChI InChI=1S/C36H42ClN5O2/c1-24-11-9-16-30(25(24)2)41-32-15-6-4-13-29(32)36(44)40-22-10-17-34(43)38-20-7-8-21-39-35-27-12-3-5-14-31(27)42-33-23-26(37)18-19-28(33)35/h4,6,9,11,13,15-16,18-19,23,41H,3,5,7-8,10,12,14,17,20-22H2,1-2H3,(H,38,43)(H,39,42)(H,40,44)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS co...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435271 (CHEMBL2393226) Show SMILES Cc1cccc(Nc2ccccc2C(=O)NCCCCCC(=O)NCCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1C Show InChI InChI=1S/C41H52ClN5O2/c1-29-16-15-21-35(30(29)2)46-37-20-11-9-18-34(37)41(49)45-27-14-6-7-22-39(48)43-25-12-4-3-5-13-26-44-40-32-17-8-10-19-36(32)47-38-28-31(42)23-24-33(38)40/h9,11,15-16,18,20-21,23-24,28,46H,3-8,10,12-14,17,19,22,25-27H2,1-2H3,(H,43,48)(H,44,47)(H,45,49)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS co...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					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
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.129037 BindingDB Entry DOI: 10.7270/Q2W381DJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435280 (CHEMBL2393106) Show SMILES Cc1cccc(Nc2ccccc2C(=O)NCCCC(=O)NCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1C Show InChI InChI=1S/C36H42ClN5O2/c1-24-11-9-16-30(25(24)2)41-32-15-6-4-13-29(32)36(44)40-22-10-17-34(43)38-20-7-8-21-39-35-27-12-3-5-14-31(27)42-33-23-26(37)18-19-28(33)35/h4,6,9,11,13,15-16,18-19,23,41H,3,5,7-8,10,12,14,17,20-22H2,1-2H3,(H,38,43)(H,39,42)(H,40,44)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 10 mins prior to substrate addition measured every 30 seconds f...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435293 (CHEMBL2393093) Show SMILES NCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C20H28ClN3/c21-15-10-11-17-19(14-15)24-18-9-5-4-8-16(18)20(17)23-13-7-3-1-2-6-12-22/h10-11,14H,1-9,12-13,22H2,(H,23,24)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS co...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435276 (CHEMBL2393110) Show SMILES Cc1cccc(Nc2ccccc2C(=O)NCCCC(=O)NCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1C Show InChI InChI=1S/C38H46ClN5O2/c1-26-13-11-18-32(27(26)2)43-34-17-8-6-15-31(34)38(46)42-24-12-19-36(45)40-22-9-3-4-10-23-41-37-29-14-5-7-16-33(29)44-35-25-28(39)20-21-30(35)37/h6,8,11,13,15,17-18,20-21,25,43H,3-5,7,9-10,12,14,16,19,22-24H2,1-2H3,(H,40,45)(H,41,44)(H,42,46)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS co...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM9002 (6-chloro-N-heptyl-1,2,3,4-tetrahydroacridin-9-amin...) Show SMILES CCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C20H27ClN2/c1-2-3-4-5-8-13-22-20-16-9-6-7-10-18(16)23-19-14-15(21)11-12-17(19)20/h11-12,14H,2-10,13H2,1H3,(H,22,23)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 10 mins prior to substrate addition measured every 30 seconds f...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435267 (CHEMBL2393089) Show SMILES Cc1cccc(Nc2ccccc2C(=O)NCCCCCCCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1C Show InChI InChI=1S/C40H51ClN4O/c1-29-18-17-23-35(30(29)2)44-37-22-14-12-20-34(37)40(46)43-27-16-10-8-6-4-3-5-7-9-15-26-42-39-32-19-11-13-21-36(32)45-38-28-31(41)24-25-33(38)39/h12,14,17-18,20,22-25,28,44H,3-11,13,15-16,19,21,26-27H2,1-2H3,(H,42,45)(H,43,46)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS co...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435285 (CHEMBL2393101) Show SMILES CCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C22H31ClN2/c1-2-3-4-5-6-7-10-15-24-22-18-11-8-9-12-20(18)25-21-16-17(23)13-14-19(21)22/h13-14,16H,2-12,15H2,1H3,(H,24,25)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS co...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435286 (CHEMBL2393100) Show SMILES CCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C21H29ClN2/c1-2-3-4-5-6-9-14-23-21-17-10-7-8-11-19(17)24-20-15-16(22)12-13-18(20)21/h12-13,15H,2-11,14H2,1H3,(H,23,24)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 10 mins prior to substrate addition measured every 30 seconds f...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435287 (CHEMBL2393099) Show SMILES CCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C19H25ClN2/c1-2-3-4-7-12-21-19-15-8-5-6-9-17(15)22-18-13-14(20)10-11-16(18)19/h10-11,13H,2-9,12H2,1H3,(H,21,22)	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
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS co...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435288 (CHEMBL2393098) Show SMILES CCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C18H23ClN2/c1-2-3-6-11-20-18-14-7-4-5-8-16(14)21-17-12-13(19)9-10-15(17)18/h9-10,12H,2-8,11H2,1H3,(H,20,21)	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
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 10 mins prior to substrate addition measured every 30 seconds f...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435274 (CHEMBL2390978) Show SMILES Cc1cccc(Nc2ccccc2C(=O)NCCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1C Show InChI InChI=1S/C35H41ClN4O/c1-24-13-12-18-30(25(24)2)39-32-17-9-7-15-29(32)35(41)38-22-11-5-3-4-10-21-37-34-27-14-6-8-16-31(27)40-33-23-26(36)19-20-28(33)34/h7,9,12-13,15,17-20,23,39H,3-6,8,10-11,14,16,21-22H2,1-2H3,(H,37,40)(H,38,41)	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
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS co...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435281 (CHEMBL2393105) Show SMILES Cc1cccc(Nc2ccccc2C(=O)NCCC(=O)NCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1C Show InChI InChI=1S/C35H40ClN5O2/c1-23-10-9-15-29(24(23)2)40-31-14-6-4-12-28(31)35(43)39-21-18-33(42)37-19-7-8-20-38-34-26-11-3-5-13-30(26)41-32-22-25(36)16-17-27(32)34/h4,6,9-10,12,14-17,22,40H,3,5,7-8,11,13,18-21H2,1-2H3,(H,37,42)(H,38,41)(H,39,43)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS co...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435279 (CHEMBL2393107) Show SMILES Cc1cccc(Nc2ccccc2C(=O)NCCCCCC(=O)NCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1C Show InChI InChI=1S/C38H46ClN5O2/c1-26-13-12-18-32(27(26)2)43-34-17-8-6-15-31(34)38(46)42-24-9-3-4-19-36(45)40-22-10-11-23-41-37-29-14-5-7-16-33(29)44-35-25-28(39)20-21-30(35)37/h6,8,12-13,15,17-18,20-21,25,43H,3-5,7,9-11,14,16,19,22-24H2,1-2H3,(H,40,45)(H,41,44)(H,42,46)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 10 mins prior to substrate addition measured every 30 seconds f...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435296 (CHEMBL2393090) Show SMILES NCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C17H22ClN3/c18-12-7-8-14-16(11-12)21-15-6-2-1-5-13(15)17(14)20-10-4-3-9-19/h7-8,11H,1-6,9-10,19H2,(H,20,21)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 10 mins prior to substrate addition measured every 30 seconds f...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435282 (CHEMBL2393104) Show SMILES OCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C19H25ClN2O/c20-14-9-10-16-18(13-14)22-17-8-4-3-7-15(17)19(16)21-11-5-1-2-6-12-23/h9-10,13,23H,1-8,11-12H2,(H,21,22)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 10 mins prior to substrate addition measured every 30 seconds f...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair

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