Compile Data Set for Download or QSAR

Found 647 hits of ki data for polymerid = 3621   

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))	BDBM50204090 (CHEMBL3958859) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1cc(-[#8])cc(-[#16]-c2ccccc2-[#6](-[#8])=O)c1-[#8] Show InChI InChI=1S/C33H42O4S/c1-23(2)11-8-12-24(3)13-9-14-25(4)15-10-16-26(5)19-20-27-21-28(34)22-31(32(27)35)38-30-18-7-6-17-29(30)33(36)37/h6-7,11,13,15,17-19,21-22,34-35H,8-10,12,14,16,20H2,1-5H3,(H,36,37)/b24-13+,25-15+,26-19+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.000590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Chimica Biomolecolare (ICB) Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate by Dixon plot analysis				Eur J Med Chem 122: 326-338 (2016) Article DOI: 10.1016/j.ejmech.2016.06.036 BindingDB Entry DOI: 10.7270/Q2QJ7K8X
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50560609 (CHEMBL4749763) Show SMILES O=c1cc(OCCCn2cc(Cn3nnc4ccccc34)nn2)c2ccccc2o1 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0417	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Mixed type inhibition of electric eel AChE assessed as inhibition constant using varying levels of acetylthiocholine as substrate by reciprocal Linew...				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127477 BindingDB Entry DOI: 10.7270/Q2W099MW
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Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50204086 (Avarol-3''-Thiosalicylate | CHEMBL238756) Show SMILES [H][C@@]12CCC=C(C)[C@@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(O)cc(Sc2ccccc2C(O)=O)c1O |r,t:4| Show InChI InChI=1S/C28H34O4S/c1-17-8-7-11-24-27(17,3)13-12-18(2)28(24,4)16-19-14-20(29)15-23(25(19)30)33-22-10-6-5-9-21(22)26(31)32/h5-6,8-10,14-15,18,24,29-30H,7,11-13,16H2,1-4H3,(H,31,32)/t18-,24+,27+,28+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0585	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Chimica Biomolecolare (ICB) Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate by Dixon plot analysis				Eur J Med Chem 122: 326-338 (2016) Article DOI: 10.1016/j.ejmech.2016.06.036 BindingDB Entry DOI: 10.7270/Q2QJ7K8X
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50557532 (CHEMBL4792421) Show SMILES COc1cc2C(=O)O\C(=C/c3ccc(O)c(c3)N3CCCCC3)c2cc1OC Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of Electrophorus electricus AChE using varying levels of acetylthiocholine iodide as substrate preincubated for 15 mins follow...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116074 BindingDB Entry DOI: 10.7270/Q2HX1HBN
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Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50204087 (CHEMBL3920392) Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-c1cc(-[#8])cc(-[#16]-c2ccccc2-[#6](-[#8])=O)c1-[#8] Show InChI InChI=1S/C18H18O4S/c1-11(2)7-8-12-9-13(19)10-16(17(12)20)23-15-6-4-3-5-14(15)18(21)22/h3-7,9-10,19-20H,8H2,1-2H3,(H,21,22)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.221	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Chimica Biomolecolare (ICB) Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate by Dixon plot analysis				Eur J Med Chem 122: 326-338 (2016) Article DOI: 10.1016/j.ejmech.2016.06.036 BindingDB Entry DOI: 10.7270/Q2QJ7K8X
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50293451 (1-Methyl-1-[2-(7-oxo-7H-1-aza-benzo[de]anthracen-9...) Show SMILES C[N+]1(CCC(=O)Nc2ccc-3c(c2)C(=O)c2cccc4ccnc-3c24)CCCCC1 Show InChI InChI=1S/C25H25N3O2/c1-28(13-3-2-4-14-28)15-11-22(29)27-18-8-9-19-21(16-18)25(30)20-7-5-6-17-10-12-26-24(19)23(17)20/h5-10,12,16H,2-4,11,13-15H2,1H3/p+1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by LB plot				Eur J Med Chem 44: 2523-32 (2009) Article DOI: 10.1016/j.ejmech.2009.01.021 BindingDB Entry DOI: 10.7270/Q2Z89CFV
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Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50052204 (CHEMBL3318392) Show SMILES [Cl-].Clc1ccccc1C[n+]1ccc(\C=C2\C(=O)Nc3ccccc23)cc1 Show InChI InChI=1S/C21H15ClN2O/c22-19-7-3-1-5-16(19)14-24-11-9-15(10-12-24)13-18-17-6-2-4-8-20(17)23-21(18)25/h1-13H,14H2/p+1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yazd University Curated by ChEMBL					Assay Description Mixed type inhibition of electric eel AChE using acetylthiocholine iodide substrate by Lineweaver-Burk plot analysis				Eur J Med Chem 84: 375-81 (2014) Article DOI: 10.1016/j.ejmech.2014.01.017 BindingDB Entry DOI: 10.7270/Q2H996T1
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Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50456708 (CHEMBL4204315) Show SMILES [#6](-[#6]-[#6]-[#7]-c1c2-[#6]-[#6]-[#6]-[#6]-c2nc2ccccc12)-[#6]-[#6][Se;v2][Se;v2][#6]-[#6]-[#6]-[#6]-[#6]-[#7]-c1c2-[#6]-[#6]-[#6]-[#6]-c2nc2ccccc12 Show InChI InChI=1S/C36H46N4Se2/c1(11-23-37-35-27-15-3-7-19-31(27)39-32-20-8-4-16-28(32)35)13-25-41-42-26-14-2-12-24-38-36-29-17-5-9-21-33(29)40-34-22-10-6-18-30(34)36/h3,5,7,9,15,17,19,21H,1-2,4,6,8,10-14,16,18,20,22-26H2,(H,37,39)(H,38,40)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by ChEMBL					Assay Description Non-competitive inhibition of electric eel AChE assessed as enzyme-inhibitor complex using p-nitrophenyl acetate as substrate by Lineweaver-Burk plot...				Eur J Med Chem 138: 761-773 (2017) Article DOI: 10.1016/j.ejmech.2017.06.048 BindingDB Entry DOI: 10.7270/Q2CV4MCJ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50456708 (CHEMBL4204315) Show SMILES [#6](-[#6]-[#6]-[#7]-c1c2-[#6]-[#6]-[#6]-[#6]-c2nc2ccccc12)-[#6]-[#6][Se;v2][Se;v2][#6]-[#6]-[#6]-[#6]-[#6]-[#7]-c1c2-[#6]-[#6]-[#6]-[#6]-c2nc2ccccc12 Show InChI InChI=1S/C36H46N4Se2/c1(11-23-37-35-27-15-3-7-19-31(27)39-32-20-8-4-16-28(32)35)13-25-41-42-26-14-2-12-24-38-36-29-17-5-9-21-33(29)40-34-22-10-6-18-30(34)36/h3,5,7,9,15,17,19,21H,1-2,4,6,8,10-14,16,18,20,22-26H2,(H,37,39)(H,38,40)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by ChEMBL					Assay Description Non-competitive inhibition of electric eel AChE assessed as enzyme-substrate-inhibitor complex using p-nitrophenyl acetate as substrate by Lineweaver...				Eur J Med Chem 138: 761-773 (2017) Article DOI: 10.1016/j.ejmech.2017.06.048 BindingDB Entry DOI: 10.7270/Q2CV4MCJ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM26190 (1,4-Dihydroxybenzene, XIII | 1,4-dihydroxybenzene ...) Show SMILES Oc1ccc(O)cc1 Show InChI InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Erzurum Technical University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Lineweaver-Bur...				Bioorg Med Chem 24: 2318-29 (2016) Article DOI: 10.1016/j.bmc.2016.04.002 BindingDB Entry DOI: 10.7270/Q2930W3J
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Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50124895 (CHEMBL3623568) Show SMILES CC(=O)C(F)(F)CCC(C)(C)C Show InChI InChI=1S/C9H16F2O/c1-7(12)9(10,11)6-5-8(2,3)4/h5-6H2,1-4H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Tech Curated by ChEMBL					Assay Description Inhibition of electric eel AChE				Bioorg Med Chem Lett 25: 4405-11 (2015) Article DOI: 10.1016/j.bmcl.2015.09.019 BindingDB Entry DOI: 10.7270/Q2Z60QV8
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Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50016848 (CHEMBL3276408) Show SMILES [I-].[I-].C(CCC[n+]1c2ccccc2cc2ccccc12)CC[n+]1c2ccccc2cc2ccccc12 Show InChI InChI=1S/C32H30N2.2HI/c1(11-21-33-29-17-7-3-13-25(29)23-26-14-4-8-18-30(26)33)2-12-22-34-31-19-9-5-15-27(31)24-28-16-6-10-20-32(28)34;;/h3-10,13-20,23-24H,1-2,11-12,21-22H2;2*1H/q+2;;/p-2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Reversible mixed-type inhibition of electric eel acetylcholinesterase using acetylcholine bromide as substrate assessed as free enzyme-inhibitor comp...				J Med Chem 20: 1617-23 (1978) BindingDB Entry DOI: 10.7270/Q29025BQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50016848 (CHEMBL3276408) Show SMILES [I-].[I-].C(CCC[n+]1c2ccccc2cc2ccccc12)CC[n+]1c2ccccc2cc2ccccc12 Show InChI InChI=1S/C32H30N2.2HI/c1(11-21-33-29-17-7-3-13-25(29)23-26-14-4-8-18-30(26)33)2-12-22-34-31-19-9-5-15-27(31)24-28-16-6-10-20-32(28)34;;/h3-10,13-20,23-24H,1-2,11-12,21-22H2;2*1H/q+2;;/p-2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Reversible mixed-type inhibition of electric eel acetylcholinesterase using acetylcholine bromide as substrate by Lineweaver-Burk plot analysis				J Med Chem 20: 1617-23 (1978) BindingDB Entry DOI: 10.7270/Q29025BQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50456711 (CHEMBL4208641) Show SMILES C(CCNc1c2CCCCc2nc2ccccc12)CCSSCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C36H46N4S2/c1(11-23-37-35-27-15-3-7-19-31(27)39-32-20-8-4-16-28(32)35)13-25-41-42-26-14-2-12-24-38-36-29-17-5-9-21-33(29)40-34-22-10-6-18-30(34)36/h3,5,7,9,15,17,19,21H,1-2,4,6,8,10-14,16,18,20,22-26H2,(H,37,39)(H,38,40)	UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by ChEMBL					Assay Description Mixed-type inhibition of electric eel AChE assessed as enzyme-inhibitor complex using p-nitrophenyl acetate as substrate by Lineweaver-Burk plot anal...				Eur J Med Chem 138: 761-773 (2017) Article DOI: 10.1016/j.ejmech.2017.06.048 BindingDB Entry DOI: 10.7270/Q2CV4MCJ
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Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM13543 (3,4,5-Trimethoxy-N-(8-oxo-8-(2-(1,2,3,4-tetrahydro...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NCCCCCCCC(=O)NNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C31H40N4O5/c1-38-26-19-21(20-27(39-2)30(26)40-3)31(37)32-18-12-6-4-5-7-17-28(36)34-35-29-22-13-8-10-15-24(22)33-25-16-11-9-14-23(25)29/h8,10,13,15,19-20H,4-7,9,11-12,14,16-18H2,1-3H3,(H,32,37)(H,33,35)(H,34,36)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.23	n/a	3.25	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...				J Med Chem 49: 7540-4 (2006) Article DOI: 10.1021/jm060742o BindingDB Entry DOI: 10.7270/Q21Z42NF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50456702 (CHEMBL4213042) Show SMILES [#6](-[#6]-[#6]-[#7]-c1c2-[#6]-[#6]-[#6]-[#6]-c2nc2ccccc12)-[#6]-[#6][Se;v2][#6]-[#6]-[#6]-[#6]-[#6]-[#7]-c1c2-[#6]-[#6]-[#6]-[#6]-c2nc2ccccc12 Show InChI InChI=1S/C36H46N4Se/c1(11-23-37-35-27-15-3-7-19-31(27)39-32-20-8-4-16-28(32)35)13-25-41-26-14-2-12-24-38-36-29-17-5-9-21-33(29)40-34-22-10-6-18-30(34)36/h3,5,7,9,15,17,19,21H,1-2,4,6,8,10-14,16,18,20,22-26H2,(H,37,39)(H,38,40)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by ChEMBL					Assay Description Non-competitive inhibition of electric eel AChE assessed as enzyme-substrate-inhibitor complex using p-nitrophenyl acetate as substrate by Lineweaver...				Eur J Med Chem 138: 761-773 (2017) Article DOI: 10.1016/j.ejmech.2017.06.048 BindingDB Entry DOI: 10.7270/Q2CV4MCJ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50456702 (CHEMBL4213042) Show SMILES [#6](-[#6]-[#6]-[#7]-c1c2-[#6]-[#6]-[#6]-[#6]-c2nc2ccccc12)-[#6]-[#6][Se;v2][#6]-[#6]-[#6]-[#6]-[#6]-[#7]-c1c2-[#6]-[#6]-[#6]-[#6]-c2nc2ccccc12 Show InChI InChI=1S/C36H46N4Se/c1(11-23-37-35-27-15-3-7-19-31(27)39-32-20-8-4-16-28(32)35)13-25-41-26-14-2-12-24-38-36-29-17-5-9-21-33(29)40-34-22-10-6-18-30(34)36/h3,5,7,9,15,17,19,21H,1-2,4,6,8,10-14,16,18,20,22-26H2,(H,37,39)(H,38,40)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by ChEMBL					Assay Description Non-competitive inhibition of electric eel AChE assessed as enzyme-inhibitor complex using p-nitrophenyl acetate as substrate by Lineweaver-Burk plot...				Eur J Med Chem 138: 761-773 (2017) Article DOI: 10.1016/j.ejmech.2017.06.048 BindingDB Entry DOI: 10.7270/Q2CV4MCJ
					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	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medicinal Sciences Curated by ChEMBL					Assay Description Inhibition of electric eel AChE pre-incubated for 3 mins before acetylthiocholine substrate addition by Lineweaver-Burk plot				Eur J Med Chem 97: 181-9 (2015) Article DOI: 10.1016/j.ejmech.2015.04.055 BindingDB Entry DOI: 10.7270/Q2P84DM4
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50070473 ((1Z,4Z,9Z,15Z)-5,10,15,20-Tetrakis-(2,4-difluoro-p...) Show SMILES Fc1ccc(c(F)c1)-c1c2ccc(n2)c(-c2ccc(F)cc2F)c2ccc([nH]2)c(-c2ccc(F)cc2F)c2ccc([nH]2)c(-c2ccc(F)cc2F)c2ccc1n2 |(7.4,-17.63,;7.42,-16.09,;6.12,-15.28,;6.16,-13.74,;7.51,-13.01,;8.82,-13.81,;10.18,-13.08,;8.78,-15.35,;7.56,-11.47,;8.91,-10.74,;10.29,-11.39,;11.36,-10.27,;10.62,-8.92,;9.1,-9.2,;11.46,-7.63,;13,-7.7,;13.7,-9.08,;15.24,-9.15,;16.08,-7.84,;17.62,-7.93,;15.37,-6.49,;13.83,-6.41,;13.13,-5.05,;10.62,-6.1,;11.39,-4.77,;10.36,-3.62,;8.94,-4.25,;9.1,-5.78,;7.61,-3.48,;7.61,-1.94,;8.94,-1.17,;8.94,.37,;7.61,1.14,;7.6,2.68,;6.28,.37,;6.28,-1.17,;4.94,-1.94,;6.28,-4.25,;4.87,-3.62,;3.85,-4.77,;4.6,-6.11,;6.12,-5.79,;3.85,-7.45,;2.31,-7.45,;1.52,-6.12,;,-6.12,;-.79,-7.46,;-2.32,-7.46,;-.02,-8.8,;1.54,-8.8,;2.31,-10.13,;4.62,-8.78,;3.81,-10.08,;4.81,-11.25,;6.24,-10.67,;6.12,-9.13,)| Show InChI InChI=1S/C44H22F8N4/c45-21-1-5-25(29(49)17-21)41-33-9-11-35(53-33)42(26-6-2-22(46)18-30(26)50)37-13-15-39(55-37)44(28-8-4-24(48)20-32(28)52)40-16-14-38(56-40)43(36-12-10-34(41)54-36)27-7-3-23(47)19-31(27)51/h1-20,53-54H/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Taejon National University of Technology Curated by ChEMBL					Assay Description Compound was evaluated for inhibitory constant for the electric eel Acetylcholinesterase (AChE)				Bioorg Med Chem Lett 8: 1467-70 (1999) BindingDB Entry DOI: 10.7270/Q21835ND
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50340109 (CHEMBL1762827 | rac-4-[(13-Amino-10,11,12,14-tetra...) Show SMILES Nc1c2CCCCc2nc2Oc3ccc4ccccc4c3C(c3ccc(O)cc3)c12 Show InChI InChI=1S/C26H22N2O2/c27-25-19-7-3-4-8-20(19)28-26-24(25)22(16-9-12-17(29)13-10-16)23-18-6-2-1-5-15(18)11-14-21(23)30-26/h1-2,5-6,9-14,22,29H,3-4,7-8H2,(H2,27,28)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sfax Curated by ChEMBL					Assay Description Mixed inhibition of Electrophorus electricus acetylcholinesterase using acetylcholine as substrate by Ellman's method				Bioorg Med Chem Lett 21: 2384-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.094 BindingDB Entry DOI: 10.7270/Q2D79BQQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50070476 ((1Z,4Z,9Z,15Z)-5,10,15,20-Tetrakis-(2,6-difluoro-p...) Show SMILES Fc1cccc(F)c1-c1c2ccc(n2)c(-c2c(F)cccc2F)c2ccc([nH]2)c(-c2c(F)cccc2F)c2ccc([nH]2)c(-c2c(F)cccc2F)c2ccc1n2 |(4.84,-12.94,;6.16,-13.74,;6.12,-15.28,;7.42,-16.09,;8.78,-15.35,;8.82,-13.81,;10.18,-13.08,;7.51,-13.01,;7.56,-11.47,;8.91,-10.74,;10.29,-11.39,;11.36,-10.27,;10.62,-8.92,;9.1,-9.2,;11.46,-7.63,;13,-7.7,;13.7,-9.08,;12.86,-10.38,;15.24,-9.15,;16.08,-7.84,;15.37,-6.49,;13.83,-6.41,;13.13,-5.05,;10.62,-6.1,;11.39,-4.77,;10.36,-3.62,;8.94,-4.25,;9.1,-5.78,;7.61,-3.48,;7.61,-1.94,;6.28,-1.17,;4.94,-1.94,;6.28,.37,;7.61,1.14,;8.94,.37,;8.94,-1.17,;10.29,-1.94,;6.28,-4.25,;4.87,-3.62,;3.85,-4.77,;4.6,-6.11,;6.12,-5.79,;3.85,-7.45,;2.31,-7.45,;1.52,-6.12,;2.29,-4.79,;,-6.12,;-.79,-7.46,;-.02,-8.8,;1.54,-8.8,;2.31,-10.13,;4.62,-8.78,;3.81,-10.08,;4.81,-11.25,;6.24,-10.67,;6.12,-9.13,)| Show InChI InChI=1S/C44H22F8N4/c45-21-5-1-6-22(46)37(21)41-29-13-15-31(53-29)42(38-23(47)7-2-8-24(38)48)33-17-19-35(55-33)44(40-27(51)11-4-12-28(40)52)36-20-18-34(56-36)43(32-16-14-30(41)54-32)39-25(49)9-3-10-26(39)50/h1-20,53-54H/b41-29+,41-30+,42-31+,42-33+,43-32+,43-34+,44-35+,44-36+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition constant (Ki) against electric eel Acetylcholinesterase as Km/Vmax versus inhibitor concentration replot				Bioorg Med Chem Lett 10: 1435-8 (2000) BindingDB Entry DOI: 10.7270/Q20K27SF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50456711 (CHEMBL4208641) Show SMILES C(CCNc1c2CCCCc2nc2ccccc12)CCSSCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C36H46N4S2/c1(11-23-37-35-27-15-3-7-19-31(27)39-32-20-8-4-16-28(32)35)13-25-41-42-26-14-2-12-24-38-36-29-17-5-9-21-33(29)40-34-22-10-6-18-30(34)36/h3,5,7,9,15,17,19,21H,1-2,4,6,8,10-14,16,18,20,22-26H2,(H,37,39)(H,38,40)	UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by ChEMBL					Assay Description Mixed-type inhibition of electric eel AChE assessed as enzyme-substrate-inhibitor complex using p-nitrophenyl acetate as substrate by Lineweaver-Burk...				Eur J Med Chem 138: 761-773 (2017) Article DOI: 10.1016/j.ejmech.2017.06.048 BindingDB Entry DOI: 10.7270/Q2CV4MCJ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50456713 (CHEMBL4214235) Show SMILES N#C[Se;v2][#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-c1c2-[#6]-[#6]-[#6]-[#6]-c2nc2ccccc12 Show InChI InChI=1S/C20H25N3Se/c21-15-24-14-8-2-1-7-13-22-20-16-9-3-5-11-18(16)23-19-12-6-4-10-17(19)20/h3,5,9,11H,1-2,4,6-8,10,12-14H2,(H,22,23)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by ChEMBL					Assay Description Competitive inhibition of electric eel AChE assessed as enzyme-inhibitor complex using p-nitrophenyl acetate as substrate by Lineweaver-Burk plot ana...				Eur J Med Chem 138: 761-773 (2017) Article DOI: 10.1016/j.ejmech.2017.06.048 BindingDB Entry DOI: 10.7270/Q2CV4MCJ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50016849 (CHEMBL3276410) Show SMILES [Br-].[Br-].C(CCC[n+]1cc2ccccc2c2ccccc12)CC[n+]1cc2ccccc2c2ccccc12 Show InChI InChI=1S/C32H30N2.2BrH/c1(11-21-33-23-25-13-3-5-15-27(25)29-17-7-9-19-31(29)33)2-12-22-34-24-26-14-4-6-16-28(26)30-18-8-10-20-32(30)34;;/h3-10,13-20,23-24H,1-2,11-12,21-22H2;2*1H/q+2;;/p-2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Reversible mixed-type inhibition of electric eel acetylcholinesterase using acetylcholine bromide as substrate assessed as free enzyme-inhibitor comp...				J Med Chem 20: 1617-23 (1978) BindingDB Entry DOI: 10.7270/Q29025BQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50016849 (CHEMBL3276410) Show SMILES [Br-].[Br-].C(CCC[n+]1cc2ccccc2c2ccccc12)CC[n+]1cc2ccccc2c2ccccc12 Show InChI InChI=1S/C32H30N2.2BrH/c1(11-21-33-23-25-13-3-5-15-27(25)29-17-7-9-19-31(29)33)2-12-22-34-24-26-14-4-6-16-28(26)30-18-8-10-20-32(30)34;;/h3-10,13-20,23-24H,1-2,11-12,21-22H2;2*1H/q+2;;/p-2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Reversible mixed-type inhibition of electric eel acetylcholinesterase using acetylcholine bromide as substrate by Lineweaver-Burk plot analysis				J Med Chem 20: 1617-23 (1978) BindingDB Entry DOI: 10.7270/Q29025BQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50458333 (CHEMBL4210820) Show SMILES Clc1ccc(cc1)S(=O)(=O)N1C(C(=O)N(C(C1=O)c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 Show InChI InChI=1S/C28H20Cl2N2O6S2/c29-21-11-15-23(16-12-21)39(35,36)31-25(19-7-3-1-4-8-19)27(33)32(26(28(31)34)20-9-5-2-6-10-20)40(37,38)24-17-13-22(30)14-18-24/h1-18,25-26H	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indian Institute of Technology (Banaras Hindu University) Curated by ChEMBL					Assay Description Non-competitive inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 30 mins followed by substrate addition b...				Eur J Med Chem 150: 87-101 (2018) Article DOI: 10.1016/j.ejmech.2018.02.078 BindingDB Entry DOI: 10.7270/Q2SJ1P72
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50456712 (CHEMBL4204015) Show SMILES N#C[Se;v2][#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-c1c2-[#6]-[#6]-[#6]-[#6]-c2nc2ccccc12 Show InChI InChI=1S/C26H37N3Se/c27-21-30-20-14-8-6-4-2-1-3-5-7-13-19-28-26-22-15-9-11-17-24(22)29-25-18-12-10-16-23(25)26/h9,11,15,17H,1-8,10,12-14,16,18-20H2,(H,28,29)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by ChEMBL					Assay Description Non-competitive inhibition of electric eel AChE assessed as enzyme-inhibitor complex using p-nitrophenyl acetate as substrate by Lineweaver-Burk plot...				Eur J Med Chem 138: 761-773 (2017) Article DOI: 10.1016/j.ejmech.2017.06.048 BindingDB Entry DOI: 10.7270/Q2CV4MCJ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50456712 (CHEMBL4204015) Show SMILES N#C[Se;v2][#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-c1c2-[#6]-[#6]-[#6]-[#6]-c2nc2ccccc12 Show InChI InChI=1S/C26H37N3Se/c27-21-30-20-14-8-6-4-2-1-3-5-7-13-19-28-26-22-15-9-11-17-24(22)29-25-18-12-10-16-23(25)26/h9,11,15,17H,1-8,10,12-14,16,18-20H2,(H,28,29)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by ChEMBL					Assay Description Non-competitive inhibition of electric eel AChE assessed as enzyme-substrate-inhibitor complex using p-nitrophenyl acetate as substrate by Lineweaver...				Eur J Med Chem 138: 761-773 (2017) Article DOI: 10.1016/j.ejmech.2017.06.048 BindingDB Entry DOI: 10.7270/Q2CV4MCJ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50456710 (CHEMBL4213722) Show SMILES [#6]-c1ccc(-[#7]-[#6](=[Se;v2])-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-c2c3-[#6]-[#6]-[#6]-[#6]-c3nc3ccccc23)cc1 Show InChI InChI=1S/C27H34N4Se/c1-20-14-16-21(17-15-20)30-27(32)29-19-9-3-2-8-18-28-26-22-10-4-6-12-24(22)31-25-13-7-5-11-23(25)26/h4,6,10,12,14-17H,2-3,5,7-9,11,13,18-19H2,1H3,(H,28,31)(H2,29,30,32)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by ChEMBL					Assay Description Competitive inhibition of electric eel AChE assessed as enzyme-inhibitor complex using p-nitrophenyl acetate as substrate by Lineweaver-Burk plot ana...				Eur J Med Chem 138: 761-773 (2017) Article DOI: 10.1016/j.ejmech.2017.06.048 BindingDB Entry DOI: 10.7270/Q2CV4MCJ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50456706 (CHEMBL4217176) Show SMILES [#6](-[#6]-[#6]-[#6][Se;v2]c1ccccc1)-[#6]-[#6]-[#7]-c1c2-[#6]-[#6]-[#6]-[#6]-c2nc2ccccc12 Show InChI InChI=1S/C25H30N2Se/c1(2-11-19-28-20-12-4-3-5-13-20)10-18-26-25-21-14-6-8-16-23(21)27-24-17-9-7-15-22(24)25/h3-6,8,12-14,16H,1-2,7,9-11,15,17-19H2,(H,26,27)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by ChEMBL					Assay Description Uncompetitive inhibition of electric eel AChE assessed as enzyme-substrate-inhibitor complex using p-nitrophenyl acetate as substrate by Lineweaver-B...				Eur J Med Chem 138: 761-773 (2017) Article DOI: 10.1016/j.ejmech.2017.06.048 BindingDB Entry DOI: 10.7270/Q2CV4MCJ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50456701 (CHEMBL4218651) Show SMILES Clc1ccc(-[#7]-[#6](=[Se;v2])-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-c2c3-[#6]-[#6]-[#6]-[#6]-c3nc3ccccc23)cc1 Show InChI InChI=1S/C26H31ClN4Se/c27-19-13-15-20(16-14-19)30-26(32)29-18-8-2-1-7-17-28-25-21-9-3-5-11-23(21)31-24-12-6-4-10-22(24)25/h3,5,9,11,13-16H,1-2,4,6-8,10,12,17-18H2,(H,28,31)(H2,29,30,32)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by ChEMBL					Assay Description Non-competitive inhibition of electric eel AChE assessed as enzyme-substrate-inhibitor complex using p-nitrophenyl acetate as substrate by Lineweaver...				Eur J Med Chem 138: 761-773 (2017) Article DOI: 10.1016/j.ejmech.2017.06.048 BindingDB Entry DOI: 10.7270/Q2CV4MCJ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50456701 (CHEMBL4218651) Show SMILES Clc1ccc(-[#7]-[#6](=[Se;v2])-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-c2c3-[#6]-[#6]-[#6]-[#6]-c3nc3ccccc23)cc1 Show InChI InChI=1S/C26H31ClN4Se/c27-19-13-15-20(16-14-19)30-26(32)29-18-8-2-1-7-17-28-25-21-9-3-5-11-23(21)31-24-12-6-4-10-22(24)25/h3,5,9,11,13-16H,1-2,4,6-8,10,12,17-18H2,(H,28,31)(H2,29,30,32)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by ChEMBL					Assay Description Non-competitive inhibition of electric eel AChE assessed as enzyme-inhibitor complex using p-nitrophenyl acetate as substrate by Lineweaver-Burk plot...				Eur J Med Chem 138: 761-773 (2017) Article DOI: 10.1016/j.ejmech.2017.06.048 BindingDB Entry DOI: 10.7270/Q2CV4MCJ
					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	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))	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	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for in vitro inhibition of acetylcholinesterase				Bioorg Med Chem Lett 5: 1131-1132 (1995) Article DOI: 10.1016/0960-894X(95)00179-W BindingDB Entry DOI: 10.7270/Q2W37WTW
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50016850 (CHEMBL3276411) Show SMILES [Br-].[Br-].C(CCC[n+]1cccc2c1ccc1ccccc21)CC[n+]1cccc2c1ccc1ccccc21 Show InChI InChI=1S/C32H30N2.2BrH/c1(7-21-33-23-9-15-29-27-13-5-3-11-25(27)17-19-31(29)33)2-8-22-34-24-10-16-30-28-14-6-4-12-26(28)18-20-32(30)34;;/h3-6,9-20,23-24H,1-2,7-8,21-22H2;2*1H/q+2;;/p-2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Reversible mixed-type inhibition of electric eel acetylcholinesterase using acetylcholine bromide as substrate assessed as free enzyme-inhibitor comp...				J Med Chem 20: 1617-23 (1978) BindingDB Entry DOI: 10.7270/Q29025BQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50070473 ((1Z,4Z,9Z,15Z)-5,10,15,20-Tetrakis-(2,4-difluoro-p...) Show SMILES Fc1ccc(c(F)c1)-c1c2ccc(n2)c(-c2ccc(F)cc2F)c2ccc([nH]2)c(-c2ccc(F)cc2F)c2ccc([nH]2)c(-c2ccc(F)cc2F)c2ccc1n2 |(7.4,-17.63,;7.42,-16.09,;6.12,-15.28,;6.16,-13.74,;7.51,-13.01,;8.82,-13.81,;10.18,-13.08,;8.78,-15.35,;7.56,-11.47,;8.91,-10.74,;10.29,-11.39,;11.36,-10.27,;10.62,-8.92,;9.1,-9.2,;11.46,-7.63,;13,-7.7,;13.7,-9.08,;15.24,-9.15,;16.08,-7.84,;17.62,-7.93,;15.37,-6.49,;13.83,-6.41,;13.13,-5.05,;10.62,-6.1,;11.39,-4.77,;10.36,-3.62,;8.94,-4.25,;9.1,-5.78,;7.61,-3.48,;7.61,-1.94,;8.94,-1.17,;8.94,.37,;7.61,1.14,;7.6,2.68,;6.28,.37,;6.28,-1.17,;4.94,-1.94,;6.28,-4.25,;4.87,-3.62,;3.85,-4.77,;4.6,-6.11,;6.12,-5.79,;3.85,-7.45,;2.31,-7.45,;1.52,-6.12,;,-6.12,;-.79,-7.46,;-2.32,-7.46,;-.02,-8.8,;1.54,-8.8,;2.31,-10.13,;4.62,-8.78,;3.81,-10.08,;4.81,-11.25,;6.24,-10.67,;6.12,-9.13,)| Show InChI InChI=1S/C44H22F8N4/c45-21-1-5-25(29(49)17-21)41-33-9-11-35(53-33)42(26-6-2-22(46)18-30(26)50)37-13-15-39(55-37)44(28-8-4-24(48)20-32(28)52)40-16-14-38(56-40)43(36-12-10-34(41)54-36)27-7-3-23(47)19-31(27)51/h1-20,53-54H/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition constant (Ki) against electric eel Acetylcholinesterase as Km/Vmax versus inhibitor concentration replot				Bioorg Med Chem Lett 10: 1435-8 (2000) BindingDB Entry DOI: 10.7270/Q20K27SF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50234829 (CHEMBL4100760) Show SMILES COc1cc2O\C(=C/c3ccc(CN4CCCCC4)c(O)c3)C(=O)c2cc1OC Show InChI InChI=1S/C23H25NO5/c1-27-20-12-17-19(13-21(20)28-2)29-22(23(17)26)11-15-6-7-16(18(25)10-15)14-24-8-4-3-5-9-24/h6-7,10-13,25H,3-5,8-9,14H2,1-2H3/b22-11-	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Mixed-type inhibition of Electrophorus electricus AChE pretreated for 15 mins followed by varying levels of acetylthiocholine iodide substrate additi...				Eur J Med Chem 126: 762-775 (2017) Article DOI: 10.1016/j.ejmech.2016.12.009 BindingDB Entry DOI: 10.7270/Q2NG4SW1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50070476 ((1Z,4Z,9Z,15Z)-5,10,15,20-Tetrakis-(2,6-difluoro-p...) Show SMILES Fc1cccc(F)c1-c1c2ccc(n2)c(-c2c(F)cccc2F)c2ccc([nH]2)c(-c2c(F)cccc2F)c2ccc([nH]2)c(-c2c(F)cccc2F)c2ccc1n2 |(4.84,-12.94,;6.16,-13.74,;6.12,-15.28,;7.42,-16.09,;8.78,-15.35,;8.82,-13.81,;10.18,-13.08,;7.51,-13.01,;7.56,-11.47,;8.91,-10.74,;10.29,-11.39,;11.36,-10.27,;10.62,-8.92,;9.1,-9.2,;11.46,-7.63,;13,-7.7,;13.7,-9.08,;12.86,-10.38,;15.24,-9.15,;16.08,-7.84,;15.37,-6.49,;13.83,-6.41,;13.13,-5.05,;10.62,-6.1,;11.39,-4.77,;10.36,-3.62,;8.94,-4.25,;9.1,-5.78,;7.61,-3.48,;7.61,-1.94,;6.28,-1.17,;4.94,-1.94,;6.28,.37,;7.61,1.14,;8.94,.37,;8.94,-1.17,;10.29,-1.94,;6.28,-4.25,;4.87,-3.62,;3.85,-4.77,;4.6,-6.11,;6.12,-5.79,;3.85,-7.45,;2.31,-7.45,;1.52,-6.12,;2.29,-4.79,;,-6.12,;-.79,-7.46,;-.02,-8.8,;1.54,-8.8,;2.31,-10.13,;4.62,-8.78,;3.81,-10.08,;4.81,-11.25,;6.24,-10.67,;6.12,-9.13,)| Show InChI InChI=1S/C44H22F8N4/c45-21-5-1-6-22(46)37(21)41-29-13-15-31(53-29)42(38-23(47)7-2-8-24(38)48)33-17-19-35(55-33)44(40-27(51)11-4-12-28(40)52)36-20-18-34(56-36)43(32-16-14-30(41)54-32)39-25(49)9-3-10-26(39)50/h1-20,53-54H/b41-29+,41-30+,42-31+,42-33+,43-32+,43-34+,44-35+,44-36+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Taejon National University of Technology Curated by ChEMBL					Assay Description Compound was evaluated for inhibitory constant for the electric eel Acetylcholinesterase (AChE)				Bioorg Med Chem Lett 8: 1467-70 (1999) BindingDB Entry DOI: 10.7270/Q21835ND
					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	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))	BDBM50185007 (CHEMBL3822686) Show SMILES COC(=O)C1=C(C)Oc2nc3CCCCc3c(N)c2C1c1cc2ccc(OC)cc2nc1Cl |c:4| Show InChI InChI=1S/C25H24ClN3O4/c1-12-19(25(30)32-3)20(16-10-13-8-9-14(31-2)11-18(13)28-23(16)26)21-22(27)15-6-4-5-7-17(15)29-24(21)33-12/h8-11,20H,4-7H2,1-3H3,(H2,27,29)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Complutense Madrid (UCM) Curated by ChEMBL					Assay Description Mixed-type inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 15 mins followed by substrate addition by Dixon plot...				Eur J Med Chem 118: 178-92 (2016) Article DOI: 10.1016/j.ejmech.2016.04.023 BindingDB Entry DOI: 10.7270/Q25H7J5V
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50456714 (CHEMBL4217969) Show SMILES C(CCCSSCCCCCCNc1c2CCCCc2nc2ccccc12)CCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C38H50N4S2/c1(13-25-39-37-29-17-5-9-21-33(29)41-34-22-10-6-18-30(34)37)3-15-27-43-44-28-16-4-2-14-26-40-38-31-19-7-11-23-35(31)42-36-24-12-8-20-32(36)38/h5,7,9,11,17,19,21,23H,1-4,6,8,10,12-16,18,20,22,24-28H2,(H,39,41)(H,40,42)	UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by ChEMBL					Assay Description Non-competitive inhibition of electric eel AChE assessed as enzyme-inhibitor complex using p-nitrophenyl acetate as substrate by Lineweaver-Burk plot...				Eur J Med Chem 138: 761-773 (2017) Article DOI: 10.1016/j.ejmech.2017.06.048 BindingDB Entry DOI: 10.7270/Q2CV4MCJ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50456714 (CHEMBL4217969) Show SMILES C(CCCSSCCCCCCNc1c2CCCCc2nc2ccccc12)CCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C38H50N4S2/c1(13-25-39-37-29-17-5-9-21-33(29)41-34-22-10-6-18-30(34)37)3-15-27-43-44-28-16-4-2-14-26-40-38-31-19-7-11-23-35(31)42-36-24-12-8-20-32(36)38/h5,7,9,11,17,19,21,23H,1-4,6,8,10,12-16,18,20,22,24-28H2,(H,39,41)(H,40,42)	UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by ChEMBL					Assay Description Non-competitive inhibition of electric eel AChE assessed as enzyme-substrate-inhibitor complex using p-nitrophenyl acetate as substrate by Lineweaver...				Eur J Med Chem 138: 761-773 (2017) Article DOI: 10.1016/j.ejmech.2017.06.048 BindingDB Entry DOI: 10.7270/Q2CV4MCJ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50433313 (CHEMBL2376474) Show SMILES CC(C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12)c1ccc(c(F)c1)-c1ccc(OCCO[N+]([O-])=O)cc1 Show InChI InChI=1S/C36H41FN4O5/c1-25(27-16-19-29(32(37)24-27)26-14-17-28(18-15-26)45-22-23-46-41(43)44)36(42)39-21-9-3-2-8-20-38-35-30-10-4-6-12-33(30)40-34-13-7-5-11-31(34)35/h4,6,10,12,14-19,24-25H,2-3,5,7-9,11,13,20-23H2,1H3,(H,38,40)(H,39,42)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Mixed-type inhibition of electric eel AChE by Lineweaver Burk reciprocal plot analysis in presence of acetylcholine				Bioorg Med Chem 21: 2462-70 (2013) Article DOI: 10.1016/j.bmc.2013.03.005 BindingDB Entry DOI: 10.7270/Q2319X82
					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	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Inhibition of electric eel AChE assessed as inhibition constant using acetylthiocholine iodide as substrate pretreated for 5 mins followed by substra...				Eur J Med Chem 174: 116-129 (2019) Article DOI: 10.1016/j.ejmech.2019.04.026 BindingDB Entry DOI: 10.7270/Q2KW5KFM
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50443370 (CHEMBL3086276) Show SMILES COc1cc2[se]n(CCC3CCN(Cc4ccccc4)CC3)c(=O)c2cc1OC Show InChI InChI=1S/C23H28N2O3Se/c1-27-20-14-19-22(15-21(20)28-2)29-25(23(19)26)13-10-17-8-11-24(12-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17H,8-13,16H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Competitive inhibition of electric eel AChE using acetylthiocholine chloride as substrate preincubated for 15 mins followed by substrate addition by ...				J Med Chem 56: 9089-99 (2013) Article DOI: 10.1021/jm401047q BindingDB Entry DOI: 10.7270/Q21R6RZF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50510681 (CHEMBL4451509) Show SMILES [O-][N+](=O)c1ccccc1C[n+]1cccc(Cn2nnc3ccccc3c2=O)c1 Show InChI InChI=1S/C20H16N5O3/c26-20-17-8-2-3-9-18(17)21-22-24(20)13-15-6-5-11-23(12-15)14-16-7-1-4-10-19(16)25(27)28/h1-12H,13-14H2/q+1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Zanjan Curated by ChEMBL					Assay Description Mixed type inhibition of electric eel AChE pre-incubated for 5 mins before acetylthiocholine iodide substrate addition and measured after 15 mins by ...				Bioorg Med Chem 27: 2914-2922 (2019) Article DOI: 10.1016/j.bmc.2019.05.023 BindingDB Entry DOI: 10.7270/Q22F7RRB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50439497 (CHEMBL2418125) Show SMILES COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCCSc1ccccc1Cl Show InChI InChI=1S/C27H23ClNO4S/c1-30-23-7-6-17-12-22-19-14-25-24(32-16-33-25)13-18(19)8-9-29(22)15-20(17)27(23)31-10-11-34-26-5-3-2-4-21(26)28/h2-7,12-15H,8-11,16H2,1H3/q+1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Mixed-type inhibition of electric eel AChE using acetylthiocholine chloride as substrate by Lineweaver-Burk plot analysis				Bioorg Med Chem 21: 5830-40 (2013) Article DOI: 10.1016/j.bmc.2013.07.011 BindingDB Entry DOI: 10.7270/Q2VD70X8
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50456703 (CHEMBL4209181) Show SMILES N#CSCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C20H25N3S/c21-15-24-14-8-2-1-7-13-22-20-16-9-3-5-11-18(16)23-19-12-6-4-10-17(19)20/h3,5,9,11H,1-2,4,6-8,10,12-14H2,(H,22,23)	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
Universidad de Sevilla Curated by ChEMBL					Assay Description Competitive inhibition of electric eel AChE assessed as enzyme-inhibitor complex using p-nitrophenyl acetate as substrate by Lineweaver-Burk plot ana...				Eur J Med Chem 138: 761-773 (2017) Article DOI: 10.1016/j.ejmech.2017.06.048 BindingDB Entry DOI: 10.7270/Q2CV4MCJ
					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))	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	20.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CSIC) Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE by Ellman's method				Bioorg Med Chem 16: 7759-69 (2008) Article DOI: 10.1016/j.bmc.2008.07.005 BindingDB Entry DOI: 10.7270/Q2DZ096D
					More data for this Ligand-Target Pair

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