Compile Data Set for Download or QSAR

Found 43 hits with Last Name = 'skibinski' and Initial = 'r'   

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))	BDBM50114361 (CHEMBL3604192) Show SMILES Cl.CN(C)c1ccc(cc1)C(=O)NCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C24H28N4O.ClH/c1-28(2)18-13-11-17(12-14-18)24(29)26-16-15-25-23-19-7-3-5-9-21(19)27-22-10-6-4-8-20(22)23;/h3,5,7,9,11-14H,4,6,8,10,15-16H2,1-2H3,(H,25,27)(H,26,29);1H	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using ATC iodide substrate by Ellman's assay				Bioorg Med Chem 23: 5610-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.029 BindingDB Entry DOI: 10.7270/Q25T3N9G
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50114361 (CHEMBL3604192) Show SMILES Cl.CN(C)c1ccc(cc1)C(=O)NCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C24H28N4O.ClH/c1-28(2)18-13-11-17(12-14-18)24(29)26-16-15-25-23-19-7-3-5-9-21(19)27-22-10-6-4-8-20(22)23;/h3,5,7,9,11-14H,4,6,8,10,15-16H2,1-2H3,(H,25,27)(H,26,29);1H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using ATC iodide substrate by Ellman's assay				Bioorg Med Chem 23: 5610-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.029 BindingDB Entry DOI: 10.7270/Q25T3N9G
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50114368 (CHEMBL3604199) Show SMILES Cl.CN(C)c1ccc(cc1)C(=O)NCCCCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C31H42N4O.ClH/c1-35(2)25-20-18-24(19-21-25)31(36)33-23-13-7-5-3-4-6-12-22-32-30-26-14-8-10-16-28(26)34-29-17-11-9-15-27(29)30;/h8,10,14,16,18-21H,3-7,9,11-13,15,17,22-23H2,1-2H3,(H,32,34)(H,33,36);1H	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using ATC iodide substrate by Ellman's assay				Bioorg Med Chem 23: 5610-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.029 BindingDB Entry DOI: 10.7270/Q25T3N9G
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50114367 (CHEMBL3604198) Show SMILES Cl.CN(C)c1ccc(cc1)C(=O)NCCCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C30H40N4O.ClH/c1-34(2)24-19-17-23(18-20-24)30(35)32-22-12-6-4-3-5-11-21-31-29-25-13-7-9-15-27(25)33-28-16-10-8-14-26(28)29;/h7,9,13,15,17-20H,3-6,8,10-12,14,16,21-22H2,1-2H3,(H,31,33)(H,32,35);1H	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using ATC iodide substrate by Ellman's assay				Bioorg Med Chem 23: 5610-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.029 BindingDB Entry DOI: 10.7270/Q25T3N9G
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50114365 (CHEMBL3604196) Show SMILES Cl.CN(C)c1ccc(cc1)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C28H36N4O.ClH/c1-32(2)22-17-15-21(16-18-22)28(33)30-20-10-4-3-9-19-29-27-23-11-5-7-13-25(23)31-26-14-8-6-12-24(26)27;/h5,7,11,13,15-18H,3-4,6,8-10,12,14,19-20H2,1-2H3,(H,29,31)(H,30,33);1H	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using ATC iodide substrate by Ellman's assay				Bioorg Med Chem 23: 5610-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.029 BindingDB Entry DOI: 10.7270/Q25T3N9G
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50114367 (CHEMBL3604198) Show SMILES Cl.CN(C)c1ccc(cc1)C(=O)NCCCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C30H40N4O.ClH/c1-34(2)24-19-17-23(18-20-24)30(35)32-22-12-6-4-3-5-11-21-31-29-25-13-7-9-15-27(25)33-28-16-10-8-14-26(28)29;/h7,9,13,15,17-20H,3-6,8,10-12,14,16,21-22H2,1-2H3,(H,31,33)(H,32,35);1H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using ATC iodide substrate by Ellman's assay				Bioorg Med Chem 23: 5610-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.029 BindingDB Entry DOI: 10.7270/Q25T3N9G
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50114368 (CHEMBL3604199) Show SMILES Cl.CN(C)c1ccc(cc1)C(=O)NCCCCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C31H42N4O.ClH/c1-35(2)25-20-18-24(19-21-25)31(36)33-23-13-7-5-3-4-6-12-22-32-30-26-14-8-10-16-28(26)34-29-17-11-9-15-27(29)30;/h8,10,14,16,18-21H,3-7,9,11-13,15,17,22-23H2,1-2H3,(H,32,34)(H,33,36);1H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using ATC iodide substrate by Ellman's assay				Bioorg Med Chem 23: 5610-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.029 BindingDB Entry DOI: 10.7270/Q25T3N9G
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM227587 (3-fluoro-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino...) Show SMILES Fc1cccc(c1)C(=O)NCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C24H26FN3O/c25-18-9-7-8-17(16-18)24(29)27-15-6-5-14-26-23-19-10-1-3-12-21(19)28-22-13-4-2-11-20(22)23/h1,3,7-10,12,16H,2,4-6,11,13-15H2,(H,26,28)(H,27,29)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.02	n/a	n/a	n/a	n/a	7.4	25
Medical University of Lodz					Assay Description The test was run as described in the following procedure: stock solution of the test compounds was diluted in phosphate buffer pH 7.4 to give final c...				Bioorg Chem 72: 315-322 (2017) Article DOI: 10.1016/j.bioorg.2017.05.003 BindingDB Entry DOI: 10.7270/Q2RX99ZF
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50114365 (CHEMBL3604196) Show SMILES Cl.CN(C)c1ccc(cc1)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C28H36N4O.ClH/c1-32(2)22-17-15-21(16-18-22)28(33)30-20-10-4-3-9-19-29-27-23-11-5-7-13-25(23)31-26-14-8-6-12-24(26)27;/h5,7,11,13,15-18H,3-4,6,8-10,12,14,19-20H2,1-2H3,(H,29,31)(H,30,33);1H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using ATC iodide substrate by Ellman's assay				Bioorg Med Chem 23: 5610-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.029 BindingDB Entry DOI: 10.7270/Q25T3N9G
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM227584 (2-Fluoro-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino...) Show SMILES Fc1ccccc1C(=O)NCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C24H26FN3O/c25-20-12-4-1-9-17(20)24(29)27-16-8-7-15-26-23-18-10-2-5-13-21(18)28-22-14-6-3-11-19(22)23/h1-2,4-5,9-10,12-13H,3,6-8,11,14-16H2,(H,26,28)(H,27,29)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.39	n/a	n/a	n/a	n/a	7.4	25
Medical University of Lodz					Assay Description The test was run as described in the following procedure: stock solution of the test compounds was diluted in phosphate buffer pH 7.4 to give final c...				Bioorg Chem 72: 315-322 (2017) Article DOI: 10.1016/j.bioorg.2017.05.003 BindingDB Entry DOI: 10.7270/Q2RX99ZF
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50114364 (CHEMBL3604195) Show SMILES Cl.CN(C)c1ccc(cc1)C(=O)NCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C27H34N4O.ClH/c1-31(2)21-16-14-20(15-17-21)27(32)29-19-9-3-8-18-28-26-22-10-4-6-12-24(22)30-25-13-7-5-11-23(25)26;/h4,6,10,12,14-17H,3,5,7-9,11,13,18-19H2,1-2H3,(H,28,30)(H,29,32);1H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using ATC iodide substrate by Ellman's assay				Bioorg Med Chem 23: 5610-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.029 BindingDB Entry DOI: 10.7270/Q25T3N9G
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM227586 (3-Fluoro-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino...) Show SMILES Fc1cccc(c1)C(=O)NCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C23H24FN3O/c24-17-8-5-7-16(15-17)23(28)26-14-6-13-25-22-18-9-1-3-11-20(18)27-21-12-4-2-10-19(21)22/h1,3,5,7-9,11,15H,2,4,6,10,12-14H2,(H,25,27)(H,26,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.79	n/a	n/a	n/a	n/a	7.4	25
Medical University of Lodz					Assay Description The test was run as described in the following procedure: stock solution of the test compounds was diluted in phosphate buffer pH 7.4 to give final c...				Bioorg Chem 72: 315-322 (2017) Article DOI: 10.1016/j.bioorg.2017.05.003 BindingDB Entry DOI: 10.7270/Q2RX99ZF
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using ATC iodide substrate by Ellman's assay				Bioorg Med Chem 23: 5610-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.029 BindingDB Entry DOI: 10.7270/Q25T3N9G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM227585 (3-Fluoro-N-[2-(1,2,3,4-tetrahydroacridin-9-ylamino...) Show SMILES Fc1cccc(c1)C(=O)NCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C22H22FN3O/c23-16-7-5-6-15(14-16)22(27)25-13-12-24-21-17-8-1-3-10-19(17)26-20-11-4-2-9-18(20)21/h1,3,5-8,10,14H,2,4,9,11-13H2,(H,24,26)(H,25,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.76	n/a	n/a	n/a	n/a	7.4	25
Medical University of Lodz					Assay Description The test was run as described in the following procedure: stock solution of the test compounds was diluted in phosphate buffer pH 7.4 to give final c...				Bioorg Chem 72: 315-322 (2017) Article DOI: 10.1016/j.bioorg.2017.05.003 BindingDB Entry DOI: 10.7270/Q2RX99ZF
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50114363 (CHEMBL3604194) Show SMILES Cl.CN(C)c1ccc(cc1)C(=O)NCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C26H32N4O.ClH/c1-30(2)20-15-13-19(14-16-20)26(31)28-18-8-7-17-27-25-21-9-3-5-11-23(21)29-24-12-6-4-10-22(24)25;/h3,5,9,11,13-16H,4,6-8,10,12,17-18H2,1-2H3,(H,27,29)(H,28,31);1H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using ATC iodide substrate by Ellman's assay				Bioorg Med Chem 23: 5610-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.029 BindingDB Entry DOI: 10.7270/Q25T3N9G
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM227583 (2-Fluoro-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino...) Show SMILES Fc1ccccc1C(=O)NCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C23H24FN3O/c24-19-11-4-1-8-16(19)23(28)26-15-7-14-25-22-17-9-2-5-12-20(17)27-21-13-6-3-10-18(21)22/h1-2,4-5,8-9,11-12H,3,6-7,10,13-15H2,(H,25,27)(H,26,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.80	n/a	n/a	n/a	n/a	7.4	25
Medical University of Lodz					Assay Description The test was run as described in the following procedure: stock solution of the test compounds was diluted in phosphate buffer pH 7.4 to give final c...				Bioorg Chem 72: 315-322 (2017) Article DOI: 10.1016/j.bioorg.2017.05.003 BindingDB Entry DOI: 10.7270/Q2RX99ZF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50114362 (CHEMBL3604193) Show SMILES Cl.CN(C)c1ccc(cc1)C(=O)NCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C25H30N4O.ClH/c1-29(2)19-14-12-18(13-15-19)25(30)27-17-7-16-26-24-20-8-3-5-10-22(20)28-23-11-6-4-9-21(23)24;/h3,5,8,10,12-15H,4,6-7,9,11,16-17H2,1-2H3,(H,26,28)(H,27,30);1H	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	19	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase in human erythrocytes using acetylthiocholine iodide substrate by spectrophotometric Ellman's method				Bioorg Med Chem 23: 5610-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.029 BindingDB Entry DOI: 10.7270/Q25T3N9G
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	19.6	n/a	n/a	n/a	n/a	7.4	25
Medical University of Lodz					Assay Description The test was run as described in the following procedure: stock solution of the test compounds was diluted in phosphate buffer pH 7.4 to give final c...				Bioorg Chem 72: 315-322 (2017) Article DOI: 10.1016/j.bioorg.2017.05.003 BindingDB Entry DOI: 10.7270/Q2RX99ZF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM227584 (2-Fluoro-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino...) Show SMILES Fc1ccccc1C(=O)NCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C24H26FN3O/c25-20-12-4-1-9-17(20)24(29)27-16-8-7-15-26-23-18-10-2-5-13-21(18)28-22-14-6-3-11-19(22)23/h1-2,4-5,9-10,12-13H,3,6-8,11,14-16H2,(H,26,28)(H,27,29)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	41.4	n/a	n/a	n/a	n/a	7.4	25
Medical University of Lodz					Assay Description The test was run as described in the following procedure: stock solution of the test compounds was diluted in phosphate buffer pH 7.4 to give final c...				Bioorg Chem 72: 315-322 (2017) Article DOI: 10.1016/j.bioorg.2017.05.003 BindingDB Entry DOI: 10.7270/Q2RX99ZF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50114365 (CHEMBL3604196) Show SMILES Cl.CN(C)c1ccc(cc1)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C28H36N4O.ClH/c1-32(2)22-17-15-21(16-18-22)28(33)30-20-10-4-3-9-19-29-27-23-11-5-7-13-25(23)31-26-14-8-6-12-24(26)27;/h5,7,11,13,15-18H,3-4,6,8-10,12,14,19-20H2,1-2H3,(H,29,31)(H,30,33);1H	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	64	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase in human erythrocytes using acetylthiocholine iodide substrate by spectrophotometric Ellman's method				Bioorg Med Chem 23: 5610-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.029 BindingDB Entry DOI: 10.7270/Q25T3N9G
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50114362 (CHEMBL3604193) Show SMILES Cl.CN(C)c1ccc(cc1)C(=O)NCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C25H30N4O.ClH/c1-29(2)19-14-12-18(13-15-19)25(30)27-17-7-16-26-24-20-8-3-5-10-22(20)28-23-11-6-4-9-21(23)24;/h3,5,8,10,12-15H,4,6-7,9,11,16-17H2,1-2H3,(H,26,28)(H,27,30);1H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using ATC iodide substrate by Ellman's assay				Bioorg Med Chem 23: 5610-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.029 BindingDB Entry DOI: 10.7270/Q25T3N9G
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50114366 (CHEMBL3604197) Show SMILES Cl.CN(C)c1ccc(cc1)C(=O)NCCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C29H38N4O.ClH/c1-33(2)23-18-16-22(17-19-23)29(34)31-21-11-5-3-4-10-20-30-28-24-12-6-8-14-26(24)32-27-15-9-7-13-25(27)28;/h6,8,12,14,16-19H,3-5,7,9-11,13,15,20-21H2,1-2H3,(H,30,32)(H,31,34);1H	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	75	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase in human erythrocytes using acetylthiocholine iodide substrate by spectrophotometric Ellman's method				Bioorg Med Chem 23: 5610-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.029 BindingDB Entry DOI: 10.7270/Q25T3N9G
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50114367 (CHEMBL3604198) Show SMILES Cl.CN(C)c1ccc(cc1)C(=O)NCCCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C30H40N4O.ClH/c1-34(2)24-19-17-23(18-20-24)30(35)32-22-12-6-4-3-5-11-21-31-29-25-13-7-9-15-27(25)33-28-16-10-8-14-26(28)29;/h7,9,13,15,17-20H,3-6,8,10-12,14,16,21-22H2,1-2H3,(H,31,33)(H,32,35);1H	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	77	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase in human erythrocytes using acetylthiocholine iodide substrate by spectrophotometric Ellman's method				Bioorg Med Chem 23: 5610-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.029 BindingDB Entry DOI: 10.7270/Q25T3N9G
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	80.8	n/a	n/a	n/a	n/a	7.4	25
Medical University of Lodz					Assay Description The test was run as described in the following procedure: stock solution of the test compounds was diluted in phosphate buffer pH 7.4 to give final c...				Bioorg Chem 72: 315-322 (2017) Article DOI: 10.1016/j.bioorg.2017.05.003 BindingDB Entry DOI: 10.7270/Q2RX99ZF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50114364 (CHEMBL3604195) Show SMILES Cl.CN(C)c1ccc(cc1)C(=O)NCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C27H34N4O.ClH/c1-31(2)21-16-14-20(15-17-21)27(32)29-19-9-3-8-18-28-26-22-10-4-6-12-24(22)30-25-13-7-5-11-23(25)26;/h4,6,10,12,14-17H,3,5,7-9,11,13,18-19H2,1-2H3,(H,28,30)(H,29,32);1H	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using ATC iodide substrate by Ellman's assay				Bioorg Med Chem 23: 5610-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.029 BindingDB Entry DOI: 10.7270/Q25T3N9G
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM227587 (3-fluoro-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino...) Show SMILES Fc1cccc(c1)C(=O)NCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C24H26FN3O/c25-18-9-7-8-17(16-18)24(29)27-15-6-5-14-26-23-19-10-1-3-12-21(19)28-22-13-4-2-11-20(22)23/h1,3,7-10,12,16H,2,4-6,11,13-15H2,(H,26,28)(H,27,29)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	97.6	n/a	n/a	n/a	n/a	7.4	25
Medical University of Lodz					Assay Description The test was run as described in the following procedure: stock solution of the test compounds was diluted in phosphate buffer pH 7.4 to give final c...				Bioorg Chem 72: 315-322 (2017) Article DOI: 10.1016/j.bioorg.2017.05.003 BindingDB Entry DOI: 10.7270/Q2RX99ZF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50114368 (CHEMBL3604199) Show SMILES Cl.CN(C)c1ccc(cc1)C(=O)NCCCCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C31H42N4O.ClH/c1-35(2)25-20-18-24(19-21-25)31(36)33-23-13-7-5-3-4-6-12-22-32-30-26-14-8-10-16-28(26)34-29-17-11-9-15-27(29)30;/h8,10,14,16,18-21H,3-7,9,11-13,15,17,22-23H2,1-2H3,(H,32,34)(H,33,36);1H	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	125	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase in human erythrocytes using acetylthiocholine iodide substrate by spectrophotometric Ellman's method				Bioorg Med Chem 23: 5610-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.029 BindingDB Entry DOI: 10.7270/Q25T3N9G
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	127	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using ATC iodide substrate by Ellman's assay				Bioorg Med Chem 23: 5610-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.029 BindingDB Entry DOI: 10.7270/Q25T3N9G
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM227583 (2-Fluoro-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino...) Show SMILES Fc1ccccc1C(=O)NCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C23H24FN3O/c24-19-11-4-1-8-16(19)23(28)26-15-7-14-25-22-17-9-2-5-12-20(17)27-21-13-6-3-10-18(21)22/h1-2,4-5,8-9,11-12H,3,6-7,10,13-15H2,(H,25,27)(H,26,28)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	141	n/a	n/a	n/a	n/a	7.4	25
Medical University of Lodz					Assay Description The test was run as described in the following procedure: stock solution of the test compounds was diluted in phosphate buffer pH 7.4 to give final c...				Bioorg Chem 72: 315-322 (2017) Article DOI: 10.1016/j.bioorg.2017.05.003 BindingDB Entry DOI: 10.7270/Q2RX99ZF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50114361 (CHEMBL3604192) Show SMILES Cl.CN(C)c1ccc(cc1)C(=O)NCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C24H28N4O.ClH/c1-28(2)18-13-11-17(12-14-18)24(29)26-16-15-25-23-19-7-3-5-9-21(19)27-22-10-6-4-8-20(22)23;/h3,5,7,9,11-14H,4,6,8,10,15-16H2,1-2H3,(H,25,27)(H,26,29);1H	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	142	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase in human erythrocytes using acetylthiocholine iodide substrate by spectrophotometric Ellman's method				Bioorg Med Chem 23: 5610-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.029 BindingDB Entry DOI: 10.7270/Q25T3N9G
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50114366 (CHEMBL3604197) Show SMILES Cl.CN(C)c1ccc(cc1)C(=O)NCCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C29H38N4O.ClH/c1-33(2)23-18-16-22(17-19-23)29(34)31-21-11-5-3-4-10-20-30-28-24-12-6-8-14-26(24)32-27-15-9-7-13-25(27)28;/h6,8,12,14,16-19H,3-5,7,9-11,13,15,20-21H2,1-2H3,(H,30,32)(H,31,34);1H	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	167	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using ATC iodide substrate by Ellman's assay				Bioorg Med Chem 23: 5610-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.029 BindingDB Entry DOI: 10.7270/Q25T3N9G
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM227582 (2-Fluoro-N-[2-(1,2,3,4-tetrahydroacridin-9-ylamino...) Show SMILES Fc1ccccc1C(=O)NCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C22H22FN3O/c23-18-10-4-1-7-15(18)22(27)25-14-13-24-21-16-8-2-5-11-19(16)26-20-12-6-3-9-17(20)21/h1-2,4-5,7-8,10-11H,3,6,9,12-14H2,(H,24,26)(H,25,27)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	198	n/a	n/a	n/a	n/a	7.4	25
Medical University of Lodz					Assay Description The test was run as described in the following procedure: stock solution of the test compounds was diluted in phosphate buffer pH 7.4 to give final c...				Bioorg Chem 72: 315-322 (2017) Article DOI: 10.1016/j.bioorg.2017.05.003 BindingDB Entry DOI: 10.7270/Q2RX99ZF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50114362 (CHEMBL3604193) Show SMILES Cl.CN(C)c1ccc(cc1)C(=O)NCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C25H30N4O.ClH/c1-29(2)19-14-12-18(13-15-19)25(30)27-17-7-16-26-24-20-8-3-5-10-22(20)28-23-11-6-4-9-21(23)24;/h3,5,8,10,12-15H,4,6-7,9,11,16-17H2,1-2H3,(H,26,28)(H,27,30);1H	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using ATC iodide substrate by Ellman's assay				Bioorg Med Chem 23: 5610-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.029 BindingDB Entry DOI: 10.7270/Q25T3N9G
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50114363 (CHEMBL3604194) Show SMILES Cl.CN(C)c1ccc(cc1)C(=O)NCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C26H32N4O.ClH/c1-30(2)20-15-13-19(14-16-20)26(31)28-18-8-7-17-27-25-21-9-3-5-11-23(21)29-24-12-6-4-10-22(24)25;/h3,5,9,11,13-16H,4,6-8,10,12,17-18H2,1-2H3,(H,27,29)(H,28,31);1H	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using ATC iodide substrate by Ellman's assay				Bioorg Med Chem 23: 5610-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.029 BindingDB Entry DOI: 10.7270/Q25T3N9G
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50114366 (CHEMBL3604197) Show SMILES Cl.CN(C)c1ccc(cc1)C(=O)NCCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C29H38N4O.ClH/c1-33(2)23-18-16-22(17-19-23)29(34)31-21-11-5-3-4-10-20-30-28-24-12-6-8-14-26(24)32-27-15-9-7-13-25(27)28;/h6,8,12,14,16-19H,3-5,7,9-11,13,15,20-21H2,1-2H3,(H,30,32)(H,31,34);1H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using ATC iodide substrate by Ellman's assay				Bioorg Med Chem 23: 5610-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.029 BindingDB Entry DOI: 10.7270/Q25T3N9G
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50114363 (CHEMBL3604194) Show SMILES Cl.CN(C)c1ccc(cc1)C(=O)NCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C26H32N4O.ClH/c1-30(2)20-15-13-19(14-16-20)26(31)28-18-8-7-17-27-25-21-9-3-5-11-23(21)29-24-12-6-4-10-22(24)25;/h3,5,9,11,13-16H,4,6-8,10,12,17-18H2,1-2H3,(H,27,29)(H,28,31);1H	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	295	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase in human erythrocytes using acetylthiocholine iodide substrate by spectrophotometric Ellman's method				Bioorg Med Chem 23: 5610-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.029 BindingDB Entry DOI: 10.7270/Q25T3N9G
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50114364 (CHEMBL3604195) Show SMILES Cl.CN(C)c1ccc(cc1)C(=O)NCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C27H34N4O.ClH/c1-31(2)21-16-14-20(15-17-21)27(32)29-19-9-3-8-18-28-26-22-10-4-6-12-24(22)30-25-13-7-5-11-23(25)26;/h4,6,10,12,14-17H,3,5,7-9,11,13,18-19H2,1-2H3,(H,28,30)(H,29,32);1H	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	357	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase in human erythrocytes using acetylthiocholine iodide substrate by spectrophotometric Ellman's method				Bioorg Med Chem 23: 5610-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.029 BindingDB Entry DOI: 10.7270/Q25T3N9G
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB 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	PDB Article PubMed	n/a	n/a	501	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase in human erythrocytes using acetylthiocholine iodide substrate by spectrophotometric Ellman's method				Bioorg Med Chem 23: 5610-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.029 BindingDB Entry DOI: 10.7270/Q25T3N9G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM227586 (3-Fluoro-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino...) Show SMILES Fc1cccc(c1)C(=O)NCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C23H24FN3O/c24-17-8-5-7-16(15-17)23(28)26-14-6-13-25-22-18-9-1-3-11-20(18)27-21-12-4-2-10-19(21)22/h1,3,5,7-9,11,15H,2,4,6,10,12-14H2,(H,25,27)(H,26,28)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	515	n/a	n/a	n/a	n/a	7.4	25
Medical University of Lodz					Assay Description The test was run as described in the following procedure: stock solution of the test compounds was diluted in phosphate buffer pH 7.4 to give final c...				Bioorg Chem 72: 315-322 (2017) Article DOI: 10.1016/j.bioorg.2017.05.003 BindingDB Entry DOI: 10.7270/Q2RX99ZF
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM227582 (2-Fluoro-N-[2-(1,2,3,4-tetrahydroacridin-9-ylamino...) Show SMILES Fc1ccccc1C(=O)NCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C22H22FN3O/c23-18-10-4-1-7-15(18)22(27)25-14-13-24-21-16-8-2-5-11-19(16)26-20-12-6-3-9-17(20)21/h1-2,4-5,7-8,10-11H,3,6,9,12-14H2,(H,24,26)(H,25,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.19E+3	n/a	n/a	n/a	n/a	7.4	25
Medical University of Lodz					Assay Description The test was run as described in the following procedure: stock solution of the test compounds was diluted in phosphate buffer pH 7.4 to give final c...				Bioorg Chem 72: 315-322 (2017) Article DOI: 10.1016/j.bioorg.2017.05.003 BindingDB Entry DOI: 10.7270/Q2RX99ZF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM227585 (3-Fluoro-N-[2-(1,2,3,4-tetrahydroacridin-9-ylamino...) Show SMILES Fc1cccc(c1)C(=O)NCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C22H22FN3O/c23-16-7-5-6-15(14-16)22(27)25-13-12-24-21-17-8-1-3-10-19(17)26-20-11-4-2-9-18(20)21/h1,3,5-8,10,14H,2,4,9,11-13H2,(H,24,26)(H,25,27)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	7.4	25
Medical University of Lodz					Assay Description The test was run as described in the following procedure: stock solution of the test compounds was diluted in phosphate buffer pH 7.4 to give final c...				Bioorg Chem 72: 315-322 (2017) Article DOI: 10.1016/j.bioorg.2017.05.003 BindingDB Entry DOI: 10.7270/Q2RX99ZF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM10620 ((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...) Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1 Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.67E+3	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using ATC iodide substrate by Ellman's assay				Bioorg Med Chem 23: 5610-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.029 BindingDB Entry DOI: 10.7270/Q25T3N9G
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50114361 (CHEMBL3604192) Show SMILES Cl.CN(C)c1ccc(cc1)C(=O)NCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C24H28N4O.ClH/c1-28(2)18-13-11-17(12-14-18)24(29)26-16-15-25-23-19-7-3-5-9-21(19)27-22-10-6-4-8-20(22)23;/h3,5,7,9,11-14H,4,6,8,10,15-16H2,1-2H3,(H,25,27)(H,26,29);1H	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	1.21E+4	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) assessed as enzyme-mediated Amyloid beta peptide (1 to 42) aggregation incubated for 5 hrs by thioflavin-T based ...				Bioorg Med Chem 23: 5610-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.029 BindingDB Entry DOI: 10.7270/Q25T3N9G
					More data for this Ligand-Target Pair