Compile Data Set for Download or QSAR

Found 410 hits of ki data for polymerid = 3621   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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 CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\Cc1cc(O)cc(Sc2ccccc2C(O)=O)c1O 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	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))	BDBM50204086 (Avarol-3''-Thiosalicylate | CHEMBL238756) Show SMILES C[C@H]1CC[C@@]2(C)[C@@H](CCC=C2C)[C@]1(C)Cc1cc(O)cc(Sc2ccccc2C(O)=O)c1O 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	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))	BDBM50204087 (CHEMBL3920392) Show SMILES CC(C)=CCc1cc(O)cc(Sc2ccccc2C(O)=O)c1O 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	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))	BDBM50016938 (CHEMBL3277095) Show SMILES CS([O-])(=O)=O.C[N+](C)(C)CCSP1(=O)OCCCO1 Show InChI InChI=1S/C8H19NO3PS.CH4O3S/c1-9(2,3)5-8-14-13(10)11-6-4-7-12-13;1-5(2,3)4/h4-8H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of electric eel AChE assessed as decrease in thiophenol formation using acetylthiocholine as substrate by Ellman's method				J Med Chem 19: 810-3 (1976) Article DOI: 10.1021/jm00228a600 BindingDB Entry DOI: 10.7270/Q2N58NX7
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50016809 (CHEMBL3275133) Show SMILES Cc1c(CCOP(O)(=O)OP(O)(=O)OP(O)(O)=O)sc[n+]1Cc1cnc(C)nc1N Show InChI InChI=1S/C12H19N4O10P3S.ClH/c1-8-11(30-7-16(8)6-10-5-14-9(2)15-12(10)13)3-4-24-28(20,21)26-29(22,23)25-27(17,18)19;/h5,7H,3-4,6H2,1-2H3,(H5-,13,14,15,17,18,19,20,21,22,23);1H	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Competitive inhibition of electric eel AChE using acetylthiocholine chloride as substrate at pH 8.25 by Michaelis-Menten plot analysis				J Med Chem 20: 161-4 (1977) Article DOI: 10.1021/jm00211a035 BindingDB Entry DOI: 10.7270/Q2JD4ZB9
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50016936 (CHEMBL3277093) Show SMILES CS([O-])(=O)=O.CC[N+](C)(CC)CCSP1(=O)OCCCO1 Show InChI InChI=1S/C10H23NO3PS.CH4O3S/c1-4-11(3,5-2)7-10-16-15(12)13-8-6-9-14-15;1-5(2,3)4/h4-10H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of electric eel AChE assessed as decrease in thiophenol formation using acetylthiocholine as substrate by Ellman's method				J Med Chem 19: 810-3 (1976) Article DOI: 10.1021/jm00228a600 BindingDB Entry DOI: 10.7270/Q2N58NX7
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM92961 (ThMP) Show SMILES Cc1c(CCOP(O)(O)=O)sc[n+]1Cc1cnc(C)nc1N Show InChI InChI=1S/C12H17N4O4PS/c1-8-11(3-4-20-21(17,18)19)22-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H3-,13,14,15,17,18,19)/p+1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Competitive inhibition of electric eel AChE using acetylthiocholine chloride as substrate at pH 8.25 by Michaelis-Menten plot analysis				J Med Chem 20: 161-4 (1977) Article DOI: 10.1021/jm00211a035 BindingDB Entry DOI: 10.7270/Q2JD4ZB9
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50052204 (CHEMBL3318392) Show SMILES 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	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))	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))	BDBM92962 (ThDP) Show SMILES Cc1c(CCOP(O)(=O)OP(O)(O)=O)sc[n+]1Cc1cnc(C)nc1N Show InChI InChI=1S/C12H18N4O7P2S/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21)/p+1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Competitive inhibition of electric eel AChE using acetylthiocholine chloride as substrate at pH 8.25 by Michaelis-Menten plot analysis				J Med Chem 20: 161-4 (1977) Article DOI: 10.1021/jm00211a035 BindingDB Entry DOI: 10.7270/Q2JD4ZB9
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM92962 (ThDP) Show SMILES Cc1c(CCOP(O)(=O)OP(O)(O)=O)sc[n+]1Cc1cnc(C)nc1N Show InChI InChI=1S/C12H18N4O7P2S/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21)/p+1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Competitive inhibition of electric eel AChE using acetylthiocholine chloride as substrate at pH 7 by Michaelis-Menten plot analysis				J Med Chem 20: 161-4 (1977) Article DOI: 10.1021/jm00211a035 BindingDB Entry DOI: 10.7270/Q2JD4ZB9
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50016939 (CHEMBL3277096) Show SMILES CCOP(=O)(OCC)SCCN(C)C Show InChI InChI=1S/C8H20NO3PS/c1-5-11-13(10,12-6-2)14-8-7-9(3)4/h5-8H2,1-4H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of electric eel AChE assessed as decrease in thiophenol formation using acetylthiocholine as substrate by Ellman's method				J Med Chem 19: 810-3 (1976) Article DOI: 10.1021/jm00228a600 BindingDB Entry DOI: 10.7270/Q2N58NX7
					More data for this Ligand-Target Pair
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
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50016812 (CHEMBL3275136) Show SMILES [I-].Cc1c(CCO)sc[n+]1C Show InChI InChI=1S/C7H12NOS.HI/c1-6-7(3-4-9)10-5-8(6)2;/h5,9H,3-4H2,1-2H3;1H/q+1;/p-1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Noncompetitive inhibition of electric eel AChE using acetylthiocholine chloride as substrate at pH 8.25 by Michaelis-Menten plot analysis				J Med Chem 20: 161-4 (1977) Article DOI: 10.1021/jm00211a035 BindingDB Entry DOI: 10.7270/Q2JD4ZB9
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50016848 (CHEMBL3276408) Show SMILES 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	Article 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) Article DOI: 10.1021/jm00222a016 BindingDB Entry DOI: 10.7270/Q29025BQ
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Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50016848 (CHEMBL3276408) Show SMILES 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	Article 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) Article DOI: 10.1021/jm00222a016 BindingDB Entry DOI: 10.7270/Q29025BQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50016940 (CHEBI:59849 | ECHOTHIOPHATE IODIDE | Ecostigmine I...) Show SMILES [I-].CCOP(=O)(OCC)SCC[N+](C)(C)C Show InChI InChI=1S/C9H23NO3PS.HI/c1-6-12-14(11,13-7-2)15-9-8-10(3,4)5;/h6-9H2,1-5H3;1H/q+1;/p-1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of electric eel AChE assessed as decrease in thiophenol formation using acetylthiocholine as substrate by Ellman's method				J Med Chem 19: 810-3 (1976) Article DOI: 10.1021/jm00228a600 BindingDB Entry DOI: 10.7270/Q2N58NX7
					More data for this Ligand-Target Pair
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
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Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50016935 (CHEMBL3277092) Show SMILES CCN(CC)CCSP1(=O)OCCCO1 Show InChI InChI=1S/C9H20NO3PS/c1-3-10(4-2)6-9-15-14(11)12-7-5-8-13-14/h3-9H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of electric eel AChE assessed as decrease in thiophenol formation using acetylthiocholine as substrate by Ellman's method				J Med Chem 19: 810-3 (1976) Article DOI: 10.1021/jm00228a600 BindingDB Entry DOI: 10.7270/Q2N58NX7
					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 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))	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
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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 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	Article 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) Article DOI: 10.1016/s0960-894x(00)00254-7 BindingDB Entry DOI: 10.7270/Q20K27SF
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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 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	Article 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) Article DOI: 10.1016/s0960-894x(98)00236-4 BindingDB Entry DOI: 10.7270/Q21835ND
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Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50016814 (CHEMBL3275138) Show SMILES CCc1scnc1C Show InChI InChI=1S/C6H9NS/c1-3-6-5(2)7-4-8-6/h4H,3H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Noncompetitive inhibition of electric eel AChE using acetylthiocholine chloride as substrate at pH 8.25 by Michaelis-Menten plot analysis				J Med Chem 20: 161-4 (1977) Article DOI: 10.1021/jm00211a035 BindingDB Entry DOI: 10.7270/Q2JD4ZB9
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Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM92962 (ThDP) Show SMILES Cc1c(CCOP(O)(=O)OP(O)(O)=O)sc[n+]1Cc1cnc(C)nc1N Show InChI InChI=1S/C12H18N4O7P2S/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21)/p+1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Noncompetitive inhibition of electric eel AChE using acetylthiocholine chloride as substrate at pH 8.25 by Michaelis-Menten plot analysis				J Med Chem 20: 161-4 (1977) Article DOI: 10.1021/jm00211a035 BindingDB Entry DOI: 10.7270/Q2JD4ZB9
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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	Article 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) Article DOI: 10.1021/jm00222a016 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	Article 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) Article DOI: 10.1021/jm00222a016 BindingDB Entry DOI: 10.7270/Q29025BQ
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Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50016850 (CHEMBL3276411) Show SMILES 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	Article 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) Article DOI: 10.1021/jm00222a016 BindingDB Entry DOI: 10.7270/Q29025BQ
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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 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
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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 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	Article 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) Article DOI: 10.1016/s0960-894x(00)00254-7 BindingDB Entry DOI: 10.7270/Q20K27SF
					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 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	Article 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) Article DOI: 10.1016/s0960-894x(98)00236-4 BindingDB Entry DOI: 10.7270/Q21835ND
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Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50185007 (CHEMBL3822686) Show SMILES COC(=O)C1=C(C)Oc2nc3CCCCc3c(N)c2C1c1cc2ccc(OC)cc2nc1Cl 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	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
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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
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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
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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
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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 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
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Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50016871 (CHEMBL3276432) Show SMILES CC(=O)OCC[n+]1ccccc1 Show InChI InChI=1S/C9H12NO2.BrH/c1-9(11)12-8-7-10-5-3-2-4-6-10;/h2-6H,7-8H2,1H3;1H/q+1;/p-1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Reversible competitive inhibition of electric eel acetylcholinesterase using acetylcholine bromide as substrate assessed as free enzyme-inhibitor com...				J Med Chem 20: 1617-23 (1978) Article DOI: 10.1021/jm00222a016 BindingDB Entry DOI: 10.7270/Q29025BQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50016875 (CHEMBL3276431) Show SMILES CC(=O)OCC[n+]1c2ccccc2cc2ccccc12 Show InChI InChI=1S/C17H16NO2.BrH/c1-13(19)20-11-10-18-16-8-4-2-6-14(16)12-15-7-3-5-9-17(15)18;/h2-9,12H,10-11H2,1H3;1H/q+1;/p-1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Reversible competitive inhibition of electric eel acetylcholinesterase using acetylcholine bromide as substrate assessed as free enzyme-inhibitor com...				J Med Chem 20: 1617-23 (1978) Article DOI: 10.1021/jm00222a016 BindingDB Entry DOI: 10.7270/Q29025BQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50440441 (CHEMBL2425846) Show SMILES Nc1c2CCCCc2nc2Oc3c(C(c4ccc(F)cc4)c12)c(=O)oc1ccccc31 Show InChI InChI=1S/C25H19FN2O3/c26-14-11-9-13(10-12-14)19-20-22(27)15-5-1-3-7-17(15)28-24(20)31-23-16-6-2-4-8-18(16)30-25(29)21(19)23/h2,4,6,8-12,19H,1,3,5,7H2,(H2,27,28)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	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 by Lineweaver-Burk plot analysis				Eur J Med Chem 68: 291-300 (2013) Article DOI: 10.1016/j.ejmech.2013.07.045 BindingDB Entry DOI: 10.7270/Q2794637
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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 KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibitory activity AChE from Electrophorus electricus using ATCh substrate and DTNB by spectrophotometry				J Med Chem 48: 8270-88 (2005) Article DOI: 10.1021/jm0508639 BindingDB Entry DOI: 10.7270/Q2GQ6XB4
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Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50016937 (CHEMBL3277094) Show SMILES CC(C)N(CCSP1(=O)OCCCO1)C(C)C Show InChI InChI=1S/C11H24NO3PS/c1-10(2)12(11(3)4)6-9-17-16(13)14-7-5-8-15-16/h10-11H,5-9H2,1-4H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of electric eel AChE assessed as decrease in thiophenol formation using acetylthiocholine as substrate by Ellman's method				J Med Chem 19: 810-3 (1976) Article DOI: 10.1021/jm00228a600 BindingDB Entry DOI: 10.7270/Q2N58NX7
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Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50427007 (CHEMBL2326855) Show SMILES CCOC(=O)c1cc2ccc(OCCN3CCCCC3)cc2oc1=O Show InChI InChI=1S/C19H23NO5/c1-2-23-18(21)16-12-14-6-7-15(13-17(14)25-19(16)22)24-11-10-20-8-4-3-5-9-20/h6-7,12-13H,2-5,8-11H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de S£o Carlos Curated by ChEMBL					Assay Description Competitive inhibition of Electrophorus electricus AChE using acetylcholine as substrate by Lineweaver-Burk plot method				J Med Chem 56: 2038-44 (2013) Article DOI: 10.1021/jm301732a BindingDB Entry DOI: 10.7270/Q2PZ5B5R
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Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50079508 (CHEMBL3417300) Show SMILES Cc1c(C)c(=O)oc2cc(OCCN3CCN(CCCNc4c5CCCCc5nc5ccccc45)CC3)ccc12 Show InChI InChI=1S/C33H40N4O3/c1-23-24(2)33(38)40-31-22-25(12-13-26(23)31)39-21-20-37-18-16-36(17-19-37)15-7-14-34-32-27-8-3-5-10-29(27)35-30-11-6-4-9-28(30)32/h3,5,8,10,12-13,22H,4,6-7,9,11,14-21H2,1-2H3,(H,34,35)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	34	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 plot analysis				Eur J Med Chem 95: 153-65 (2015) Article DOI: 10.1016/j.ejmech.2015.03.040 BindingDB Entry DOI: 10.7270/Q20R9R4H
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Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50004000 ((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...) Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Time dependent inhibition of Electric eel AChE assessed as stability constants of inhibitor-enzyme complex using acetylthiocholine as substrate after...				ACS Med Chem Lett 3: 914-919 (2012) Article DOI: 10.1021/ml3001825 BindingDB Entry DOI: 10.7270/Q2P27079
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Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50262340 (11-Amino-3,3-dimethyl-12-p-tolyl-3,4,5,7,8,9,10,12...) Show SMILES Cc1ccc(cc1)C1C2C(=O)CC(C)(C)CC2=Nc2nc3CCCCc3c(N)c12 Show InChI InChI=1S/C25H29N3O/c1-14-8-10-15(11-9-14)20-21-18(12-25(2,3)13-19(21)29)28-24-22(20)23(26)16-6-4-5-7-17(16)27-24/h8-11,20-21H,4-7,12-13H2,1-3H3,(H2,26,27)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	38.9	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
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Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50135653 (2,4,6,8,10,12-hexa(2-chloro phenylmethyl)-2,4,6,8,...) Show SMILES Clc1ccccc1CNC1C2N(Cc3ccccc3Cl)C3C(N(Cc4ccccc4Cl)C4(CC4N2Cc2ccccc2Cl)N3Cc2ccccc2Cl)N1Cc1ccccc1Cl Show InChI InChI=1S/C49H44Cl6N6/c50-38-19-7-1-13-32(38)26-56-45-46-57(27-33-14-2-8-20-39(33)51)44-25-49(44)60(30-36-17-5-11-23-42(36)54)47(58(45)28-34-15-3-9-21-40(34)52)48(59(46)29-35-16-4-10-22-41(35)53)61(49)31-37-18-6-12-24-43(37)55/h1-24,44-48,56H,25-31H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Chung-Hsing University Curated by ChEMBL					Assay Description Inhibitory activity of the compound against acetylcholinesterase				Bioorg Med Chem Lett 13: 2887-90 (2003) Article DOI: 10.1016/s0960-894x(03)00599-7 BindingDB Entry DOI: 10.7270/Q29C6WT0
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Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50262341 (11-Amino-12-(4-methoxy-phenyl)-3,3-dimethyl-3,4,5,...) Show SMILES COc1ccc(cc1)C1C2C(=O)CC(C)(C)CC2=Nc2nc3CCCCc3c(N)c12 Show InChI InChI=1S/C25H29N3O2/c1-25(2)12-18-21(19(29)13-25)20(14-8-10-15(30-3)11-9-14)22-23(26)16-6-4-5-7-17(16)27-24(22)28-18/h8-11,20-21H,4-7,12-13H2,1-3H3,(H2,26,27)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41.9	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
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50434373 (CHEMBL2386992) Show SMILES O=C1C=CC(=O)N1c1ccncc1 Show InChI InChI=1S/C9H6N2O2/c12-8-1-2-9(13)11(8)7-3-5-10-6-4-7/h1-6H	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Banaras Hindu University Curated by ChEMBL					Assay Description Non-competitive inhibition of electric eel AChE using acetylcholine iodide as substrate by Lineweaver-Burk plot analysis				Bioorg Med Chem Lett 23: 2984-9 (2013) Article DOI: 10.1016/j.bmcl.2013.03.026 BindingDB Entry DOI: 10.7270/Q289177M
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50310278 (9-O-[4-(Phenylol-1-yloxy)butyl]berberine bromide |...) Show SMILES COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCCCCOc1ccccc1 Show InChI InChI=1S/C29H28NO5/c1-31-26-10-9-20-15-25-23-17-28-27(34-19-35-28)16-21(23)11-12-30(25)18-24(20)29(26)33-14-6-5-13-32-22-7-3-2-4-8-22/h2-4,7-10,15-18H,5-6,11-14,19H2,1H3/q+1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	45	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 enzyme kinetics assay				Bioorg Med Chem 18: 1244-51 (2010) Article DOI: 10.1016/j.bmc.2009.12.035 BindingDB Entry DOI: 10.7270/Q2D50N2T
					More data for this Ligand-Target Pair

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