Compile Data Set for Download or QSAR

Found 77 hits with Last Name = 'da silva' and Initial = 'fm'   

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))	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	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
PeQuiM- Laboratory of Research in Medicinal Chemistry, Institute of Chemistry, Federal University of Alfenas, 37130-000, Alfenas, MG, Brazil. Curated by ChEMBL					Assay Description Non-competitive inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate pretreated for 10 mins followed by substrate ...				Eur J Med Chem 130: 440-457 (2017) Article DOI: 10.1016/j.ejmech.2017.02.043 BindingDB Entry DOI: 10.7270/Q2VX0JXD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50256407 (CHEMBL4088197) Show SMILES COc1cc(\C=C\C(=O)OCC2CCN(Cc3ccccc3)CC2)ccc1O Show InChI InChI=1S/C23H27NO4/c1-27-22-15-18(7-9-21(22)25)8-10-23(26)28-17-20-11-13-24(14-12-20)16-19-5-3-2-4-6-19/h2-10,15,20,25H,11-14,16-17H2,1H3/b10-8+	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	1.04E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
PeQuiM- Laboratory of Research in Medicinal Chemistry, Institute of Chemistry, Federal University of Alfenas, 37130-000, Alfenas, MG, Brazil. Curated by ChEMBL					Assay Description Non-competitive inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate pretreated for 10 mins followed by substrate ...				Eur J Med Chem 130: 440-457 (2017) Article DOI: 10.1016/j.ejmech.2017.02.043 BindingDB Entry DOI: 10.7270/Q2VX0JXD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50292422 (CHEMBL4175724) Show SMILES OC1CCCN(Cc2ccc(cc2)C(=O)N\N=C\c2ccc(cc2)[N+]([O-])=O)C1 Show InChI InChI=1S/C20H22N4O4/c25-19-2-1-11-23(14-19)13-16-3-7-17(8-4-16)20(26)22-21-12-15-5-9-18(10-6-15)24(27)28/h3-10,12,19,25H,1-2,11,13-14H2,(H,22,26)/b21-12+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.45E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of Alfenas Curated by ChEMBL					Assay Description Non-competitive inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition b...				Eur J Med Chem 147: 48-65 (2018) Article DOI: 10.1016/j.ejmech.2018.01.066 BindingDB Entry DOI: 10.7270/Q2K64MM0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50292419 (CHEMBL4163724) Show SMILES OC1CCCN(Cc2ccc(cc2)C(=O)N\N=C\c2ccc(Cl)cc2)C1 Show InChI InChI=1S/C20H22ClN3O2/c21-18-9-5-15(6-10-18)12-22-23-20(26)17-7-3-16(4-8-17)13-24-11-1-2-19(25)14-24/h3-10,12,19,25H,1-2,11,13-14H2,(H,23,26)/b22-12+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.76E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of Alfenas Curated by ChEMBL					Assay Description Non-competitive inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition b...				Eur J Med Chem 147: 48-65 (2018) Article DOI: 10.1016/j.ejmech.2018.01.066 BindingDB Entry DOI: 10.7270/Q2K64MM0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50292536 (CHEMBL4170841) Show SMILES CSc1ccc(\C=N\NC(=O)c2ccc(CN3CCCC(O)C3)cc2)cc1 Show InChI InChI=1S/C21H25N3O2S/c1-27-20-10-6-16(7-11-20)13-22-23-21(26)18-8-4-17(5-9-18)14-24-12-2-3-19(25)15-24/h4-11,13,19,25H,2-3,12,14-15H2,1H3,(H,23,26)/b22-13+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.42E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of Alfenas Curated by ChEMBL					Assay Description Apparent affinity to inhibit binding of [3H]-pCCK-8 to Cholecystokinin type A receptor of guinea pig pancreatic membranes				Eur J Med Chem 147: 48-65 (2018) Article DOI: 10.1016/j.ejmech.2018.01.066 BindingDB Entry DOI: 10.7270/Q2K64MM0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50139050 (CHEMBL3753906) Show SMILES COc1cccc(CCCCCCCCN2CCC(C2)OC(=O)N(C)C)c1 Show InChI InChI=1S/C22H36N2O3/c1-23(2)22(25)27-21-14-16-24(18-21)15-9-7-5-4-6-8-11-19-12-10-13-20(17-19)26-3/h10,12-13,17,21H,4-9,11,14-16,18H2,1-3H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bras£lia Curated by ChEMBL					Assay Description Non-competitive inhibition of electric eel acetylcholine esterase using acetylcholine iodide as substrate by Ellman's method				Eur J Med Chem 108: 687-700 (2016) Article DOI: 10.1016/j.ejmech.2015.12.024 BindingDB Entry DOI: 10.7270/Q20R9R7V
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50292510 (CHEMBL4172314) Show SMILES OC1CCCN(Cc2ccc(cc2)C(=O)N\N=C\c2ccc(cc2)N2CCCCC2)C1 Show InChI InChI=1S/C25H32N4O2/c30-24-5-4-14-28(19-24)18-21-6-10-22(11-7-21)25(31)27-26-17-20-8-12-23(13-9-20)29-15-2-1-3-16-29/h6-13,17,24,30H,1-5,14-16,18-19H2,(H,27,31)/b26-17+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of Alfenas Curated by ChEMBL					Assay Description Affinity of compound to Sigma opioid receptor labelled with [3H](+)-3-PPP				Eur J Med Chem 147: 48-65 (2018) Article DOI: 10.1016/j.ejmech.2018.01.066 BindingDB Entry DOI: 10.7270/Q2K64MM0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50139006 (CHEMBL3753607) Show SMILES CCN(CCCCCCCCc1cccc(OC)c1)Cc1ccccc1 Show InChI InChI=1S/C24H35NO/c1-3-25(21-23-15-10-8-11-16-23)19-12-7-5-4-6-9-14-22-17-13-18-24(20-22)26-2/h8,10-11,13,15-18,20H,3-7,9,12,14,19,21H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.04E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bras£lia Curated by ChEMBL					Assay Description Non-competitive inhibition of electric eel acetylcholine esterase using acetylcholine iodide as substrate by Ellman's method				Eur J Med Chem 108: 687-700 (2016) Article DOI: 10.1016/j.ejmech.2015.12.024 BindingDB Entry DOI: 10.7270/Q20R9R7V
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50292423 (CHEMBL4167867) Show SMILES COc1ccc(\C=N\NC(=O)c2ccc(CN3CCCC(O)C3)cc2)cc1 Show InChI InChI=1S/C21H25N3O3/c1-27-20-10-6-16(7-11-20)13-22-23-21(26)18-8-4-17(5-9-18)14-24-12-2-3-19(25)15-24/h4-11,13,19,25H,2-3,12,14-15H2,1H3,(H,23,26)/b22-13+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.15E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of Alfenas Curated by ChEMBL					Assay Description Non-competitive inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition b...				Eur J Med Chem 147: 48-65 (2018) Article DOI: 10.1016/j.ejmech.2018.01.066 BindingDB Entry DOI: 10.7270/Q2K64MM0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50292442 (CHEMBL4171226) Show SMILES OC1CCCN(Cc2ccc(cc2)C(=O)N\N=C\c2ccc(F)cc2)C1 Show InChI InChI=1S/C20H22FN3O2/c21-18-9-5-15(6-10-18)12-22-23-20(26)17-7-3-16(4-8-17)13-24-11-1-2-19(25)14-24/h3-10,12,19,25H,1-2,11,13-14H2,(H,23,26)/b22-12+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.34E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of Alfenas Curated by ChEMBL					Assay Description Non-competitive inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition b...				Eur J Med Chem 147: 48-65 (2018) Article DOI: 10.1016/j.ejmech.2018.01.066 BindingDB Entry DOI: 10.7270/Q2K64MM0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50139052 (CHEMBL3754700) Show SMILES COc1cccc(CCCCCCCCNCc2ccccc2OC)c1 Show InChI InChI=1S/C23H33NO2/c1-25-22-15-11-13-20(18-22)12-7-5-3-4-6-10-17-24-19-21-14-8-9-16-23(21)26-2/h8-9,11,13-16,18,24H,3-7,10,12,17,19H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bras£lia Curated by ChEMBL					Assay Description Non-competitive inhibition of electric eel acetylcholine esterase using acetylcholine iodide as substrate by Ellman's method				Eur J Med Chem 108: 687-700 (2016) Article DOI: 10.1016/j.ejmech.2015.12.024 BindingDB Entry DOI: 10.7270/Q20R9R7V
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50139049 (CHEMBL3753732) Show SMILES COc1cccc(CCCCCCCCN2CCCC(C2)OC(C)=O)c1 Show InChI InChI=1S/C22H35NO3/c1-19(24)26-22-14-10-16-23(18-22)15-8-6-4-3-5-7-11-20-12-9-13-21(17-20)25-2/h9,12-13,17,22H,3-8,10-11,14-16,18H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bras£lia Curated by ChEMBL					Assay Description Non-competitive inhibition of electric eel acetylcholine esterase using acetylcholine iodide as substrate by Ellman's method				Eur J Med Chem 108: 687-700 (2016) Article DOI: 10.1016/j.ejmech.2015.12.024 BindingDB Entry DOI: 10.7270/Q20R9R7V
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50292526 (CHEMBL4164436) Show SMILES OC1CCCN(Cc2ccc(cc2)C(=O)N\N=C\c2ccc(cc2)-n2ccnc2)C1 Show InChI InChI=1S/C23H25N5O2/c29-22-2-1-12-27(16-22)15-19-3-7-20(8-4-19)23(30)26-25-14-18-5-9-21(10-6-18)28-13-11-24-17-28/h3-11,13-14,17,22,29H,1-2,12,15-16H2,(H,26,30)/b25-14+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.11E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of Alfenas Curated by ChEMBL					Assay Description Non-competitive inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition b...				Eur J Med Chem 147: 48-65 (2018) Article DOI: 10.1016/j.ejmech.2018.01.066 BindingDB Entry DOI: 10.7270/Q2K64MM0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50139051 (CHEMBL3753070) Show SMILES COc1cccc(CCCCCCCCN2CCCC(C2)OC(=O)N(C)C)c1 Show InChI InChI=1S/C23H38N2O3/c1-24(2)23(26)28-22-15-11-17-25(19-22)16-9-7-5-4-6-8-12-20-13-10-14-21(18-20)27-3/h10,13-14,18,22H,4-9,11-12,15-17,19H2,1-3H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.24E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bras£lia Curated by ChEMBL					Assay Description Non-competitive inhibition of electric eel acetylcholine esterase using acetylcholine iodide as substrate by Ellman's method				Eur J Med Chem 108: 687-700 (2016) Article DOI: 10.1016/j.ejmech.2015.12.024 BindingDB Entry DOI: 10.7270/Q20R9R7V
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50139007 (CHEMBL3754287) Show SMILES COc1cccc(CCCCCCCCN2CCCC2)c1 Show InChI InChI=1S/C19H31NO/c1-21-19-13-10-12-18(17-19)11-6-4-2-3-5-7-14-20-15-8-9-16-20/h10,12-13,17H,2-9,11,14-16H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.24E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bras£lia Curated by ChEMBL					Assay Description Mixed inhibition of electric eel acetylcholine esterase using acetylcholine iodide as substrate by Ellman's method				Eur J Med Chem 108: 687-700 (2016) Article DOI: 10.1016/j.ejmech.2015.12.024 BindingDB Entry DOI: 10.7270/Q20R9R7V
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50139053 (CHEMBL3752227) Show SMILES CCN(CCCCCCCCc1cccc(OC)c1)Cc1ccccc1OC Show InChI InChI=1S/C25H37NO2/c1-4-26(21-23-16-10-11-18-25(23)28-3)19-12-8-6-5-7-9-14-22-15-13-17-24(20-22)27-2/h10-11,13,15-18,20H,4-9,12,14,19,21H2,1-3H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.44E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bras£lia Curated by ChEMBL					Assay Description Non-competitive inhibition of electric eel acetylcholine esterase using acetylcholine iodide as substrate by Ellman's method				Eur J Med Chem 108: 687-700 (2016) Article DOI: 10.1016/j.ejmech.2015.12.024 BindingDB Entry DOI: 10.7270/Q20R9R7V
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of Alfenas Curated by ChEMBL					Assay Description Apparent affinity to inhibit binding of [3H]-pCCK-8 to Cholecystokinin type A receptor of guinea pig pancreatic membranes				Eur J Med Chem 147: 48-65 (2018) Article DOI: 10.1016/j.ejmech.2018.01.066 BindingDB Entry DOI: 10.7270/Q2K64MM0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of Alfenas Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's metho...				Eur J Med Chem 147: 48-65 (2018) Article DOI: 10.1016/j.ejmech.2018.01.066 BindingDB Entry DOI: 10.7270/Q2K64MM0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
PeQuiM- Laboratory of Research in Medicinal Chemistry, Institute of Chemistry, Federal University of Alfenas, 37130-000, Alfenas, MG, Brazil. Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measure...				Eur J Med Chem 130: 440-457 (2017) Article DOI: 10.1016/j.ejmech.2017.02.043 BindingDB Entry DOI: 10.7270/Q2VX0JXD
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50030474 (Avandamet | Avandaryl | Avandia | BRL-49653 | CHEB...) Show SMILES CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1 Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	159	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do ABC Curated by ChEMBL					Assay Description Displacement of fluormone from human PPARgamma LBD expressed in Escherichia coli BL21 DE3 by fluorescence polarization assay				Bioorg Med Chem Lett 23: 5795-802 (2013) Article DOI: 10.1016/j.bmcl.2013.09.010 BindingDB Entry DOI: 10.7270/Q2D221JC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50256407 (CHEMBL4088197) Show SMILES COc1cc(\C=C\C(=O)OCC2CCN(Cc3ccccc3)CC2)ccc1O Show InChI InChI=1S/C23H27NO4/c1-27-22-15-18(7-9-21(22)25)8-10-23(26)28-17-20-11-13-24(14-12-20)16-19-5-3-2-4-6-19/h2-10,15,20,25H,11-14,16-17H2,1H3/b10-8+	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
PeQuiM- Laboratory of Research in Medicinal Chemistry, Institute of Chemistry, Federal University of Alfenas, 37130-000, Alfenas, MG, Brazil. Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measure...				Eur J Med Chem 130: 440-457 (2017) Article DOI: 10.1016/j.ejmech.2017.02.043 BindingDB Entry DOI: 10.7270/Q2VX0JXD
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM53804 (4-({2-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)m...) Show SMILES [#8]-[#6](=O)-c1ccc(-[#6]-[#8]-c2ccccc2\[#6]=[#6]-2\[#6](=O)-c3ccccc3-[#6]-2=O)cc1 Show InChI InChI=1S/C24H16O5/c25-22-18-6-2-3-7-19(18)23(26)20(22)13-17-5-1-4-8-21(17)29-14-15-9-11-16(12-10-15)24(27)28/h1-13H,14H2,(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do ABC Curated by ChEMBL					Assay Description Displacement of fluormone from human PPARgamma LBD expressed in Escherichia coli BL21 DE3 by fluorescence polarization assay				Bioorg Med Chem Lett 23: 5795-802 (2013) Article DOI: 10.1016/j.bmcl.2013.09.010 BindingDB Entry DOI: 10.7270/Q2D221JC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM10404 ((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...) Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12| Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	2.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bras£lia Curated by ChEMBL					Assay Description Inhibition of human acetylcholine esterase preincubated for 10 mins followed by the addition of 550 uM of acetylcholine iodide as substrate measured ...				Eur J Med Chem 108: 687-700 (2016) Article DOI: 10.1016/j.ejmech.2015.12.024 BindingDB Entry DOI: 10.7270/Q20R9R7V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50387185 (CHEMBL2048021) Show SMILES OC(=O)Cn1c(SCCOc2ccc3ccccc3c2)nc2ccccc12 Show InChI InChI=1S/C21H18N2O3S/c24-20(25)14-23-19-8-4-3-7-18(19)22-21(23)27-12-11-26-17-10-9-15-5-1-2-6-16(15)13-17/h1-10,13H,11-12,14H2,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.22E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do ABC Curated by ChEMBL					Assay Description Displacement of fluormone from human PPARgamma LBD expressed in Escherichia coli BL21 DE3 by fluorescence polarization assay				Bioorg Med Chem Lett 23: 5795-802 (2013) Article DOI: 10.1016/j.bmcl.2013.09.010 BindingDB Entry DOI: 10.7270/Q2D221JC
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50292422 (CHEMBL4175724) Show SMILES OC1CCCN(Cc2ccc(cc2)C(=O)N\N=C\c2ccc(cc2)[N+]([O-])=O)C1 Show InChI InChI=1S/C20H22N4O4/c25-19-2-1-11-23(14-19)13-16-3-7-17(8-4-16)20(26)22-21-12-15-5-9-18(10-6-15)24(27)28/h3-10,12,19,25H,1-2,11,13-14H2,(H,22,26)/b21-12+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.71E+3	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of Alfenas Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's metho...				Eur J Med Chem 147: 48-65 (2018) Article DOI: 10.1016/j.ejmech.2018.01.066 BindingDB Entry DOI: 10.7270/Q2K64MM0
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50139052 (CHEMBL3754700) Show SMILES COc1cccc(CCCCCCCCNCc2ccccc2OC)c1 Show InChI InChI=1S/C23H33NO2/c1-25-22-15-11-13-20(18-22)12-7-5-3-4-6-10-17-24-19-21-14-8-9-16-23(21)26-2/h8-9,11,13-16,18,24H,3-7,10,12,17,19H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bras£lia Curated by ChEMBL					Assay Description Inhibition of horse butyrylcholine esterase preincubated for 10 mins followed by the addition of butyrylcholine iodide as substrate measured after 5 ...				Eur J Med Chem 108: 687-700 (2016) Article DOI: 10.1016/j.ejmech.2015.12.024 BindingDB Entry DOI: 10.7270/Q20R9R7V
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50590393 (CHEMBL5195581) Show SMILES O=C(CN1C(=O)c2ccccc2C1=O)N1CCN(CC1)c1ccncc1 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d1md00374g BindingDB Entry DOI: 10.7270/Q29K4G7Q
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.69E+3	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of Alfenas Curated by ChEMBL					Assay Description Binding affinity of [3H]spiroperidol to striatal Dopamine receptor D2 binding sites				Eur J Med Chem 147: 48-65 (2018) Article DOI: 10.1016/j.ejmech.2018.01.066 BindingDB Entry DOI: 10.7270/Q2K64MM0
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.69E+3	n/a	n/a	n/a	n/a	n/a	n/a
PeQuiM- Laboratory of Research in Medicinal Chemistry, Institute of Chemistry, Federal University of Alfenas, 37130-000, Alfenas, MG, Brazil. Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measured at 12 se...				Eur J Med Chem 130: 440-457 (2017) Article DOI: 10.1016/j.ejmech.2017.02.043 BindingDB Entry DOI: 10.7270/Q2VX0JXD
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50139053 (CHEMBL3752227) Show SMILES CCN(CCCCCCCCc1cccc(OC)c1)Cc1ccccc1OC Show InChI InChI=1S/C25H37NO2/c1-4-26(21-23-16-10-11-18-25(23)28-3)19-12-8-6-5-7-9-14-22-15-13-17-24(20-22)27-2/h10-11,13,15-18,20H,4-9,12,14,19,21H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bras£lia Curated by ChEMBL					Assay Description Inhibition of horse butyrylcholine esterase preincubated for 10 mins followed by the addition of butyrylcholine iodide as substrate measured after 5 ...				Eur J Med Chem 108: 687-700 (2016) Article DOI: 10.1016/j.ejmech.2015.12.024 BindingDB Entry DOI: 10.7270/Q20R9R7V
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50493700 (CHEMBL1426715) Show SMILES OC(=O)c1ccc(cc1)-n1nnnc1SCc1ccccc1Br Show InChI InChI=1S/C15H11BrN4O2S/c16-13-4-2-1-3-11(13)9-23-15-17-18-19-20(15)12-7-5-10(6-8-12)14(21)22/h1-8H,9H2,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do ABC Curated by ChEMBL					Assay Description Displacement of fluormone from human PPARgamma LBD expressed in Escherichia coli BL21 DE3 by fluorescence polarization assay				Bioorg Med Chem Lett 23: 5795-802 (2013) Article DOI: 10.1016/j.bmcl.2013.09.010 BindingDB Entry DOI: 10.7270/Q2D221JC
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50139053 (CHEMBL3752227) Show SMILES CCN(CCCCCCCCc1cccc(OC)c1)Cc1ccccc1OC Show InChI InChI=1S/C25H37NO2/c1-4-26(21-23-16-10-11-18-25(23)28-3)19-12-8-6-5-7-9-14-22-15-13-17-24(20-22)27-2/h10-11,13,15-18,20H,4-9,12,14,19,21H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.65E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bras£lia Curated by ChEMBL					Assay Description Inhibition of human acetylcholine esterase preincubated for 10 mins followed by the addition of 550 uM of acetylcholine iodide as substrate measured ...				Eur J Med Chem 108: 687-700 (2016) Article DOI: 10.1016/j.ejmech.2015.12.024 BindingDB Entry DOI: 10.7270/Q20R9R7V
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50139053 (CHEMBL3752227) Show SMILES CCN(CCCCCCCCc1cccc(OC)c1)Cc1ccccc1OC Show InChI InChI=1S/C25H37NO2/c1-4-26(21-23-16-10-11-18-25(23)28-3)19-12-8-6-5-7-9-14-22-15-13-17-24(20-22)27-2/h10-11,13,15-18,20H,4-9,12,14,19,21H2,1-3H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bras£lia Curated by ChEMBL					Assay Description Inhibition of electric eel acetylcholine esterase preincubated for 10 mins followed by the addition of acetylcholine iodide as substrate measured aft...				Eur J Med Chem 108: 687-700 (2016) Article DOI: 10.1016/j.ejmech.2015.12.024 BindingDB Entry DOI: 10.7270/Q20R9R7V
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50139006 (CHEMBL3753607) Show SMILES CCN(CCCCCCCCc1cccc(OC)c1)Cc1ccccc1 Show InChI InChI=1S/C24H35NO/c1-3-25(21-23-15-10-8-11-16-23)19-12-7-5-4-6-9-14-22-17-13-18-24(20-22)26-2/h8,10-11,13,15-18,20H,3-7,9,12,14,19,21H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bras£lia Curated by ChEMBL					Assay Description Inhibition of horse butyrylcholine esterase preincubated for 10 mins followed by the addition of butyrylcholine iodide as substrate measured after 5 ...				Eur J Med Chem 108: 687-700 (2016) Article DOI: 10.1016/j.ejmech.2015.12.024 BindingDB Entry DOI: 10.7270/Q20R9R7V
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50292442 (CHEMBL4171226) Show SMILES OC1CCCN(Cc2ccc(cc2)C(=O)N\N=C\c2ccc(F)cc2)C1 Show InChI InChI=1S/C20H22FN3O2/c21-18-9-5-15(6-10-18)12-22-23-20(26)17-7-3-16(4-8-17)13-24-11-1-2-19(25)14-24/h3-10,12,19,25H,1-2,11,13-14H2,(H,23,26)/b22-12+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.65E+3	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of Alfenas Curated by ChEMBL					Assay Description Inhibition activity against AICAR formyltransferase determined against L cell				Eur J Med Chem 147: 48-65 (2018) Article DOI: 10.1016/j.ejmech.2018.01.066 BindingDB Entry DOI: 10.7270/Q2K64MM0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50292536 (CHEMBL4170841) Show SMILES CSc1ccc(\C=N\NC(=O)c2ccc(CN3CCCC(O)C3)cc2)cc1 Show InChI InChI=1S/C21H25N3O2S/c1-27-20-10-6-16(7-11-20)13-22-23-21(26)18-8-4-17(5-9-18)14-24-12-2-3-19(25)15-24/h4-11,13,19,25H,2-3,12,14-15H2,1H3,(H,23,26)/b22-13+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of Alfenas Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's metho...				Eur J Med Chem 147: 48-65 (2018) Article DOI: 10.1016/j.ejmech.2018.01.066 BindingDB Entry DOI: 10.7270/Q2K64MM0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50292510 (CHEMBL4172314) Show SMILES OC1CCCN(Cc2ccc(cc2)C(=O)N\N=C\c2ccc(cc2)N2CCCCC2)C1 Show InChI InChI=1S/C25H32N4O2/c30-24-5-4-14-28(19-24)18-21-6-10-22(11-7-21)25(31)27-26-17-20-8-12-23(13-9-20)29-15-2-1-3-16-29/h6-13,17,24,30H,1-5,14-16,18-19H2,(H,27,31)/b26-17+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.09E+4	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of Alfenas Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's metho...				Eur J Med Chem 147: 48-65 (2018) Article DOI: 10.1016/j.ejmech.2018.01.066 BindingDB Entry DOI: 10.7270/Q2K64MM0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50292539 (CHEMBL4174394) Show SMILES OC1CCCN(Cc2ccc(cc2)C(=O)N\N=C\c2ccc(Br)cc2)C1 Show InChI InChI=1S/C20H22BrN3O2/c21-18-9-5-15(6-10-18)12-22-23-20(26)17-7-3-16(4-8-17)13-24-11-1-2-19(25)14-24/h3-10,12,19,25H,1-2,11,13-14H2,(H,23,26)/b22-12+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.19E+4	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of Alfenas Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's metho...				Eur J Med Chem 147: 48-65 (2018) Article DOI: 10.1016/j.ejmech.2018.01.066 BindingDB Entry DOI: 10.7270/Q2K64MM0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50292423 (CHEMBL4167867) Show SMILES COc1ccc(\C=N\NC(=O)c2ccc(CN3CCCC(O)C3)cc2)cc1 Show InChI InChI=1S/C21H25N3O3/c1-27-20-10-6-16(7-11-20)13-22-23-21(26)18-8-4-17(5-9-18)14-24-12-2-3-19(25)15-24/h4-11,13,19,25H,2-3,12,14-15H2,1H3,(H,23,26)/b22-13+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.32E+4	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of Alfenas Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's metho...				Eur J Med Chem 147: 48-65 (2018) Article DOI: 10.1016/j.ejmech.2018.01.066 BindingDB Entry DOI: 10.7270/Q2K64MM0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50139050 (CHEMBL3753906) Show SMILES COc1cccc(CCCCCCCCN2CCC(C2)OC(=O)N(C)C)c1 Show InChI InChI=1S/C22H36N2O3/c1-23(2)22(25)27-21-14-16-24(18-21)15-9-7-5-4-6-8-11-19-12-10-13-20(17-19)26-3/h10,12-13,17,21H,4-9,11,14-16,18H2,1-3H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.37E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bras£lia Curated by ChEMBL					Assay Description Inhibition of electric eel acetylcholine esterase preincubated for 10 mins followed by the addition of acetylcholine iodide as substrate measured aft...				Eur J Med Chem 108: 687-700 (2016) Article DOI: 10.1016/j.ejmech.2015.12.024 BindingDB Entry DOI: 10.7270/Q20R9R7V
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50139051 (CHEMBL3753070) Show SMILES COc1cccc(CCCCCCCCN2CCCC(C2)OC(=O)N(C)C)c1 Show InChI InChI=1S/C23H38N2O3/c1-24(2)23(26)28-22-15-11-17-25(19-22)16-9-7-5-4-6-8-12-20-13-10-14-21(18-20)27-3/h10,13-14,18,22H,4-9,11-12,15-17,19H2,1-3H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.43E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bras£lia Curated by ChEMBL					Assay Description Inhibition of electric eel acetylcholine esterase preincubated for 10 mins followed by the addition of acetylcholine iodide as substrate measured aft...				Eur J Med Chem 108: 687-700 (2016) Article DOI: 10.1016/j.ejmech.2015.12.024 BindingDB Entry DOI: 10.7270/Q20R9R7V
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50292565 (CHEMBL4160612) Show SMILES OC1CCCN(Cc2ccc(cc2)C(=O)N\N=C\c2ccc(cc2)N2CCCC2)C1 Show InChI InChI=1S/C24H30N4O2/c29-23-4-3-13-27(18-23)17-20-5-9-21(10-6-20)24(30)26-25-16-19-7-11-22(12-8-19)28-14-1-2-15-28/h5-12,16,23,29H,1-4,13-15,17-18H2,(H,26,30)/b25-16+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.47E+4	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of Alfenas Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's metho...				Eur J Med Chem 147: 48-65 (2018) Article DOI: 10.1016/j.ejmech.2018.01.066 BindingDB Entry DOI: 10.7270/Q2K64MM0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50139006 (CHEMBL3753607) Show SMILES CCN(CCCCCCCCc1cccc(OC)c1)Cc1ccccc1 Show InChI InChI=1S/C24H35NO/c1-3-25(21-23-15-10-8-11-16-23)19-12-7-5-4-6-9-14-22-17-13-18-24(20-22)26-2/h8,10-11,13,15-18,20H,3-7,9,12,14,19,21H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.61E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bras£lia Curated by ChEMBL					Assay Description Inhibition of electric eel acetylcholine esterase preincubated for 10 mins followed by the addition of acetylcholine iodide as substrate measured aft...				Eur J Med Chem 108: 687-700 (2016) Article DOI: 10.1016/j.ejmech.2015.12.024 BindingDB Entry DOI: 10.7270/Q20R9R7V
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50139049 (CHEMBL3753732) Show SMILES COc1cccc(CCCCCCCCN2CCCC(C2)OC(C)=O)c1 Show InChI InChI=1S/C22H35NO3/c1-19(24)26-22-14-10-16-23(18-22)15-8-6-4-3-5-7-11-20-12-9-13-21(17-20)25-2/h9,12-13,17,22H,3-8,10-11,14-16,18H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.61E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bras£lia Curated by ChEMBL					Assay Description Inhibition of electric eel acetylcholine esterase preincubated for 10 mins followed by the addition of acetylcholine iodide as substrate measured aft...				Eur J Med Chem 108: 687-700 (2016) Article DOI: 10.1016/j.ejmech.2015.12.024 BindingDB Entry DOI: 10.7270/Q20R9R7V
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50139007 (CHEMBL3754287) Show SMILES COc1cccc(CCCCCCCCN2CCCC2)c1 Show InChI InChI=1S/C19H31NO/c1-21-19-13-10-12-18(17-19)11-6-4-2-3-5-7-14-20-15-8-9-16-20/h10,12-13,17H,2-9,11,14-16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.64E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bras£lia Curated by ChEMBL					Assay Description Inhibition of horse butyrylcholine esterase preincubated for 10 mins followed by the addition of butyrylcholine iodide as substrate measured after 5 ...				Eur J Med Chem 108: 687-700 (2016) Article DOI: 10.1016/j.ejmech.2015.12.024 BindingDB Entry DOI: 10.7270/Q20R9R7V
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50256425 (CHEMBL4066925) Show SMILES COc1cc(\C=C\C(=O)OCC2CCN(Cc3ccc(cc3)[N+]([O-])=O)CC2)ccc1O Show InChI InChI=1S/C23H26N2O6/c1-30-22-14-17(4-8-21(22)26)5-9-23(27)31-16-19-10-12-24(13-11-19)15-18-2-6-20(7-3-18)25(28)29/h2-9,14,19,26H,10-13,15-16H2,1H3/b9-5+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.67E+4	n/a	n/a	n/a	n/a	n/a	n/a
PeQuiM- Laboratory of Research in Medicinal Chemistry, Institute of Chemistry, Federal University of Alfenas, 37130-000, Alfenas, MG, Brazil. Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measure...				Eur J Med Chem 130: 440-457 (2017) Article DOI: 10.1016/j.ejmech.2017.02.043 BindingDB Entry DOI: 10.7270/Q2VX0JXD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50139052 (CHEMBL3754700) Show SMILES COc1cccc(CCCCCCCCNCc2ccccc2OC)c1 Show InChI InChI=1S/C23H33NO2/c1-25-22-15-11-13-20(18-22)12-7-5-3-4-6-10-17-24-19-21-14-8-9-16-23(21)26-2/h8-9,11,13-16,18,24H,3-7,10,12,17,19H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.72E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bras£lia Curated by ChEMBL					Assay Description Inhibition of electric eel acetylcholine esterase preincubated for 10 mins followed by the addition of acetylcholine iodide as substrate measured aft...				Eur J Med Chem 108: 687-700 (2016) Article DOI: 10.1016/j.ejmech.2015.12.024 BindingDB Entry DOI: 10.7270/Q20R9R7V
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50139049 (CHEMBL3753732) Show SMILES COc1cccc(CCCCCCCCN2CCCC(C2)OC(C)=O)c1 Show InChI InChI=1S/C22H35NO3/c1-19(24)26-22-14-10-16-23(18-22)15-8-6-4-3-5-7-11-20-12-9-13-21(17-20)25-2/h9,12-13,17,22H,3-8,10-11,14-16,18H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bras£lia Curated by ChEMBL					Assay Description Inhibition of horse butyrylcholine esterase preincubated for 10 mins followed by the addition of butyrylcholine iodide as substrate measured after 5 ...				Eur J Med Chem 108: 687-700 (2016) Article DOI: 10.1016/j.ejmech.2015.12.024 BindingDB Entry DOI: 10.7270/Q20R9R7V
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50139007 (CHEMBL3754287) Show SMILES COc1cccc(CCCCCCCCN2CCCC2)c1 Show InChI InChI=1S/C19H31NO/c1-21-19-13-10-12-18(17-19)11-6-4-2-3-5-7-14-20-15-8-9-16-20/h10,12-13,17H,2-9,11,14-16H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bras£lia Curated by ChEMBL					Assay Description Inhibition of electric eel acetylcholine esterase preincubated for 10 mins followed by the addition of acetylcholine iodide as substrate measured aft...				Eur J Med Chem 108: 687-700 (2016) Article DOI: 10.1016/j.ejmech.2015.12.024 BindingDB Entry DOI: 10.7270/Q20R9R7V
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50292566 (CHEMBL4168953) Show SMILES Nc1ccc(\C=N\NC(=O)c2ccc(CN3CCCC(O)C3)cc2)cc1 Show InChI InChI=1S/C20H24N4O2/c21-18-9-5-15(6-10-18)12-22-23-20(26)17-7-3-16(4-8-17)13-24-11-1-2-19(25)14-24/h3-10,12,19,25H,1-2,11,13-14,21H2,(H,23,26)/b22-12+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.15E+4	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of Alfenas Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's metho...				Eur J Med Chem 147: 48-65 (2018) Article DOI: 10.1016/j.ejmech.2018.01.066 BindingDB Entry DOI: 10.7270/Q2K64MM0
					More data for this Ligand-Target Pair

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