Compile Data Set for Download or QSAR

Found 48 hits with Last Name = 'maalej' and Initial = 'e'   

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))	BDBM50340109 (CHEMBL1762827 | rac-4-[(13-Amino-10,11,12,14-tetra...) Show SMILES Nc1c2CCCCc2nc2Oc3ccc4ccccc4c3C(c3ccc(O)cc3)c12 Show InChI InChI=1S/C26H22N2O2/c27-25-19-7-3-4-8-20(19)28-26-24(25)22(16-9-12-17(29)13-10-16)23-18-6-2-1-5-15(18)11-14-21(23)30-26/h1-2,5-6,9-14,22,29H,3-4,7-8H2,(H2,27,28)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sfax Curated by ChEMBL					Assay Description Mixed inhibition of Electrophorus electricus acetylcholinesterase using acetylcholine as substrate by Ellman's method				Bioorg Med Chem Lett 21: 2384-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.094 BindingDB Entry DOI: 10.7270/Q2D79BQQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50401238 (CHEMBL2206895) Show SMILES COc1cc(ccc1O)C1c2ccc3ccccc3c2Oc2nc3CCCCc3c(N)c12 Show InChI InChI=1S/C27H24N2O3/c1-31-22-14-16(11-13-21(22)30)23-19-12-10-15-6-2-3-7-17(15)26(19)32-27-24(23)25(28)18-8-4-5-9-20(18)29-27/h2-3,6-7,10-14,23,30H,4-5,8-9H2,1H3,(H2,28,29)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	81	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-type inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Ellman's method				Eur J Med Chem 54: 750-63 (2012) Article DOI: 10.1016/j.ejmech.2012.06.038 BindingDB Entry DOI: 10.7270/Q2R78GCM
					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	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sfax Curated by ChEMBL					Assay Description Inhibition of horse serum butrylcholinesterase preincubated with compound for 10 mins using butrylcholine iodide as substrate after 15 mins by spectr...				Bioorg Med Chem Lett 21: 2384-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.094 BindingDB Entry DOI: 10.7270/Q2D79BQQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sfax Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus acetylcholinesterase preincubated with compound for 10 mins using acetylcholine iodide as substrate after 15 m...				Bioorg Med Chem Lett 21: 2384-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.094 BindingDB Entry DOI: 10.7270/Q2D79BQQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50340111 (CHEMBL1762829 | rac-14-(3'-Methoxyphenyl)-10,11,12...) Show SMILES COc1cccc(c1)C1c2c(N)c3CCCCc3nc2Oc2ccc3ccccc3c12 Show InChI InChI=1S/C27H24N2O2/c1-30-18-9-6-8-17(15-18)23-24-19-10-3-2-7-16(19)13-14-22(24)31-27-25(23)26(28)20-11-4-5-12-21(20)29-27/h2-3,6-10,13-15,23H,4-5,11-12H2,1H3,(H2,28,29)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sfax Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus acetylcholinesterase preincubated with compound for 10 mins using acetylcholine iodide as substrate after 15 m...				Bioorg Med Chem Lett 21: 2384-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.094 BindingDB Entry DOI: 10.7270/Q2D79BQQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50340110 (CHEMBL1762828 | rac-14-(4'-Methoxyphenyl)-10,11,12...) Show SMILES COc1ccc(cc1)C1c2c(N)c3CCCCc3nc2Oc2ccc3ccccc3c12 Show InChI InChI=1S/C27H24N2O2/c1-30-18-13-10-17(11-14-18)23-24-19-7-3-2-6-16(19)12-15-22(24)31-27-25(23)26(28)20-8-4-5-9-21(20)29-27/h2-3,6-7,10-15,23H,4-5,8-9H2,1H3,(H2,28,29)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sfax Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus acetylcholinesterase preincubated with compound for 10 mins using acetylcholine iodide as substrate after 15 m...				Bioorg Med Chem Lett 21: 2384-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.094 BindingDB Entry DOI: 10.7270/Q2D79BQQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50340112 (CHEMBL1762830 | rac-14-(2'-Methoxyphenyl)-10,11,12...) Show SMILES COc1ccccc1C1c2c(N)c3CCCCc3nc2Oc2ccc3ccccc3c12 Show InChI InChI=1S/C27H24N2O2/c1-30-21-13-7-5-11-19(21)24-23-17-9-3-2-8-16(17)14-15-22(23)31-27-25(24)26(28)18-10-4-6-12-20(18)29-27/h2-3,5,7-9,11,13-15,24H,4,6,10,12H2,1H3,(H2,28,29)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sfax Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus acetylcholinesterase preincubated with compound for 10 mins using acetylcholine iodide as substrate after 15 m...				Bioorg Med Chem Lett 21: 2384-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.094 BindingDB Entry DOI: 10.7270/Q2D79BQQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50340115 (CHEMBL1762833 | rac-14-(3',4'-Dimethoxyphenyl)-10,...) Show SMILES COc1ccc(cc1OC)C1c2c(N)c3CCCCc3nc2Oc2ccc3ccccc3c12 Show InChI InChI=1S/C28H26N2O3/c1-31-21-13-12-17(15-23(21)32-2)24-25-18-8-4-3-7-16(18)11-14-22(25)33-28-26(24)27(29)19-9-5-6-10-20(19)30-28/h3-4,7-8,11-15,24H,5-6,9-10H2,1-2H3,(H2,29,30)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sfax Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus acetylcholinesterase preincubated with compound for 10 mins using acetylcholine iodide as substrate after 15 m...				Bioorg Med Chem Lett 21: 2384-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.094 BindingDB Entry DOI: 10.7270/Q2D79BQQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50340116 (CHEMBL1762834 | rac-14-(3',4',5'-Trimethoxyphenyl)...) Show SMILES COc1cc(cc(OC)c1OC)C1c2c(N)c3CCCCc3nc2Oc2ccc3ccccc3c12 Show InChI InChI=1S/C29H28N2O4/c1-32-22-14-17(15-23(33-2)28(22)34-3)24-25-18-9-5-4-8-16(18)12-13-21(25)35-29-26(24)27(30)19-10-6-7-11-20(19)31-29/h4-5,8-9,12-15,24H,6-7,10-11H2,1-3H3,(H2,30,31)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sfax Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus acetylcholinesterase preincubated with compound for 10 mins using acetylcholine iodide as substrate after 15 m...				Bioorg Med Chem Lett 21: 2384-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.094 BindingDB Entry DOI: 10.7270/Q2D79BQQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	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	27	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sfax Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus acetylcholinesterase preincubated with compound for 10 mins using acetylcholine iodide as substrate after 15 m...				Bioorg Med Chem Lett 21: 2384-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.094 BindingDB Entry DOI: 10.7270/Q2D79BQQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50340114 (CHEMBL1762832 | rac-4-[13-Amino-10,11,12,14-tetrah...) Show SMILES COc1cc(ccc1O)C1c2c(N)c3CCCCc3nc2Oc2ccc3ccccc3c12 Show InChI InChI=1S/C27H24N2O3/c1-31-22-14-16(10-12-20(22)30)23-24-17-7-3-2-6-15(17)11-13-21(24)32-27-25(23)26(28)18-8-4-5-9-19(18)29-27/h2-3,6-7,10-14,23,30H,4-5,8-9H2,1H3,(H2,28,29)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sfax Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus acetylcholinesterase preincubated with compound for 10 mins using acetylcholine iodide as substrate after 15 m...				Bioorg Med Chem Lett 21: 2384-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.094 BindingDB Entry DOI: 10.7270/Q2D79BQQ
					More data for this Ligand-Target Pair
Cholinesterase (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 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	40	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sfax Curated by ChEMBL					Assay Description Inhibition of human BuChE using butyrylthiocholine iodide as substrate incubated for 10 mins prior to substrate addition measured after 15 mins by El...				Eur J Med Chem 54: 750-63 (2012) Article DOI: 10.1016/j.ejmech.2012.06.038 BindingDB Entry DOI: 10.7270/Q2R78GCM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50340108 (CHEMBL1762826 | rac-14-(4'-Methylphenyl)-10,11,12,...) Show SMILES Cc1ccc(cc1)C1c2c(Oc3ccc4ccccc4c13)nc1CCCCc1c2N Show InChI InChI=1S/C27H24N2O/c1-16-10-12-18(13-11-16)23-24-19-7-3-2-6-17(19)14-15-22(24)30-27-25(23)26(28)20-8-4-5-9-21(20)29-27/h2-3,6-7,10-15,23H,4-5,8-9H2,1H3,(H2,28,29)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sfax Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus acetylcholinesterase preincubated with compound for 10 mins using acetylcholine iodide as substrate after 15 m...				Bioorg Med Chem Lett 21: 2384-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.094 BindingDB Entry DOI: 10.7270/Q2D79BQQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50340113 (CHEMBL1762831 | rac-4-[12-Amino-9,10,11,13-tetrahy...) Show SMILES COc1cc(ccc1O)C1c2c(N)c3CCCc3nc2Oc2ccc3ccccc3c12 Show InChI InChI=1S/C26H22N2O3/c1-30-21-13-15(9-11-19(21)29)22-23-16-6-3-2-5-14(16)10-12-20(23)31-26-24(22)25(27)17-7-4-8-18(17)28-26/h2-3,5-6,9-13,22,29H,4,7-8H2,1H3,(H2,27,28)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	101	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sfax Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus acetylcholinesterase preincubated with compound for 10 mins using acetylcholine iodide as substrate after 15 m...				Bioorg Med Chem Lett 21: 2384-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.094 BindingDB Entry DOI: 10.7270/Q2D79BQQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50340117 (CHEMBL1762835 | rac-14-(4'-Nitrophenyl)-10,11,12,1...) Show SMILES Nc1c2CCCCc2nc2Oc3ccc4ccccc4c3C(c3ccc(cc3)[N+]([O-])=O)c12 Show InChI InChI=1S/C26H21N3O3/c27-25-19-7-3-4-8-20(19)28-26-24(25)22(16-9-12-17(13-10-16)29(30)31)23-18-6-2-1-5-15(18)11-14-21(23)32-26/h1-2,5-6,9-14,22H,3-4,7-8H2,(H2,27,28)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sfax Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus acetylcholinesterase preincubated with compound for 10 mins using acetylcholine iodide as substrate after 15 m...				Bioorg Med Chem Lett 21: 2384-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.094 BindingDB Entry DOI: 10.7270/Q2D79BQQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50401247 (CHEMBL2206891) Show SMILES Nc1c2CCCCc2nc2Oc3c(ccc4ccccc34)C(c3ccccc3)c12 Show InChI InChI=1S/C26H22N2O/c27-24-19-12-6-7-13-21(19)28-26-23(24)22(17-9-2-1-3-10-17)20-15-14-16-8-4-5-11-18(16)25(20)29-26/h1-5,8-11,14-15,22H,6-7,12-13H2,(H2,27,28)	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	300	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sfax Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate incubated for 10 mins prior to substrate addition measured after 15 mins by Ellm...				Eur J Med Chem 54: 750-63 (2012) Article DOI: 10.1016/j.ejmech.2012.06.038 BindingDB Entry DOI: 10.7270/Q2R78GCM
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50401238 (CHEMBL2206895) Show SMILES COc1cc(ccc1O)C1c2ccc3ccccc3c2Oc2nc3CCCCc3c(N)c12 Show InChI InChI=1S/C27H24N2O3/c1-31-22-14-16(11-13-21(22)30)23-19-12-10-15-6-2-3-7-17(15)26(19)32-27-24(23)25(28)18-8-4-5-9-20(18)29-27/h2-3,6-7,10-14,23,30H,4-5,8-9H2,1H3,(H2,28,29)	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	330	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sfax Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate incubated for 10 mins prior to substrate addition measured after 15 mins by Ellm...				Eur J Med Chem 54: 750-63 (2012) Article DOI: 10.1016/j.ejmech.2012.06.038 BindingDB Entry DOI: 10.7270/Q2R78GCM
					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	350	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sfax Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate incubated for 10 mins prior to substrate addition measured after 15 mins by Ellm...				Eur J Med Chem 54: 750-63 (2012) Article DOI: 10.1016/j.ejmech.2012.06.038 BindingDB Entry DOI: 10.7270/Q2R78GCM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM50401243 (CHEMBL2206896) Show SMILES COc1ccc(C2c3ccc4ccccc4c3Oc3nc4CCCCc4c(N)c23)c(OC)c1 Show InChI InChI=1S/C28H26N2O3/c1-31-17-12-14-20(23(15-17)32-2)24-21-13-11-16-7-3-4-8-18(16)27(21)33-28-25(24)26(29)19-9-5-6-10-22(19)30-28/h3-4,7-8,11-15,24H,5-6,9-10H2,1-2H3,(H2,29,30)	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	370	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sfax Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate incubated for 10 mins prior to substrate addition measured after 15 mins by Ellm...				Eur J Med Chem 54: 750-63 (2012) Article DOI: 10.1016/j.ejmech.2012.06.038 BindingDB Entry DOI: 10.7270/Q2R78GCM
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50401246 (CHEMBL2206892) Show SMILES Cc1ccc(cc1)C1c2ccc3ccccc3c2Oc2nc3CCCCc3c(N)c12 Show InChI InChI=1S/C27H24N2O/c1-16-10-12-18(13-11-16)23-21-15-14-17-6-2-3-7-19(17)26(21)30-27-24(23)25(28)20-8-4-5-9-22(20)29-27/h2-3,6-7,10-15,23H,4-5,8-9H2,1H3,(H2,28,29)	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	400	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sfax Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate incubated for 10 mins prior to substrate addition measured after 15 mins by Ellm...				Eur J Med Chem 54: 750-63 (2012) Article DOI: 10.1016/j.ejmech.2012.06.038 BindingDB Entry DOI: 10.7270/Q2R78GCM
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50401248 (CHEMBL252380) Show SMILES CCOC(=O)c1c(C)nc2nc3CCCCc3c(N)c2c1-c1ccc(F)cc1 Show InChI InChI=1S/C22H22FN3O2/c1-3-28-22(27)17-12(2)25-21-19(18(17)13-8-10-14(23)11-9-13)20(24)15-6-4-5-7-16(15)26-21/h8-11H,3-7H2,1-2H3,(H2,24,25,26)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	710	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sfax Curated by ChEMBL					Assay Description Inhibition of electric eel AChE				Eur J Med Chem 54: 750-63 (2012) Article DOI: 10.1016/j.ejmech.2012.06.038 BindingDB Entry DOI: 10.7270/Q2R78GCM
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50241346 (10-Amino-4-(4-methoxy-phenyl)-2-methyl-5,6,7,8-tet...) Show SMILES CCOC(=O)C1=C(C)Oc2nc3CCCCc3c(N)c2C1c1ccc(OC)cc1 |c:5| Show InChI InChI=1S/C23H26N2O4/c1-4-28-23(26)18-13(2)29-22-20(19(18)14-9-11-15(27-3)12-10-14)21(24)16-7-5-6-8-17(16)25-22/h9-12,19H,4-8H2,1-3H3,(H2,24,25)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	868	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sfax Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus acetylcholinesterase preincubated with compound for 10 mins using acetylcholine iodide as substrate after 15 m...				Bioorg Med Chem Lett 21: 2384-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.094 BindingDB Entry DOI: 10.7270/Q2D79BQQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50401242 (CHEMBL2206897) Show SMILES COc1cc(cc(OC)c1OC)C1c2ccc3ccccc3c2Oc2nc3CCCCc3c(N)c12 Show InChI InChI=1S/C29H28N2O4/c1-32-22-14-17(15-23(33-2)28(22)34-3)24-20-13-12-16-8-4-5-9-18(16)27(20)35-29-25(24)26(30)19-10-6-7-11-21(19)31-29/h4-5,8-9,12-15,24H,6-7,10-11H2,1-3H3,(H2,30,31)	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	3.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sfax Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate incubated for 10 mins prior to substrate addition measured after 15 mins by Ellm...				Eur J Med Chem 54: 750-63 (2012) Article DOI: 10.1016/j.ejmech.2012.06.038 BindingDB Entry DOI: 10.7270/Q2R78GCM
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50401240 (CHEMBL2206899) Show SMILES Nc1c2CCCCc2nc2Oc3c(ccc4ccccc34)C(c3c(Cl)cccc3Cl)c12 Show InChI InChI=1S/C26H20Cl2N2O/c27-18-9-5-10-19(28)22(18)21-17-13-12-14-6-1-2-7-15(14)25(17)31-26-23(21)24(29)16-8-3-4-11-20(16)30-26/h1-2,5-7,9-10,12-13,21H,3-4,8,11H2,(H2,29,30)	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	4.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sfax Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate incubated for 10 mins prior to substrate addition measured after 15 mins by Ellm...				Eur J Med Chem 54: 750-63 (2012) Article DOI: 10.1016/j.ejmech.2012.06.038 BindingDB Entry DOI: 10.7270/Q2R78GCM
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50401244 (CHEMBL2206894) Show SMILES COc1ccccc1C1c2ccc3ccccc3c2Oc2nc3CCCCc3c(N)c12 Show InChI InChI=1S/C27H24N2O2/c1-30-22-13-7-5-11-19(22)23-20-15-14-16-8-2-3-9-17(16)26(20)31-27-24(23)25(28)18-10-4-6-12-21(18)29-27/h2-3,5,7-9,11,13-15,23H,4,6,10,12H2,1H3,(H2,28,29)	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	4.53E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sfax Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate incubated for 10 mins prior to substrate addition measured after 15 mins by Ellm...				Eur J Med Chem 54: 750-63 (2012) Article DOI: 10.1016/j.ejmech.2012.06.038 BindingDB Entry DOI: 10.7270/Q2R78GCM
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50401239 (CHEMBL2206900) Show SMILES Nc1c2CCCCc2nc2Oc3c(ccc4ccccc34)C(c3ccc(Cl)c(Cl)c3)c12 Show InChI InChI=1S/C26H20Cl2N2O/c27-19-12-10-15(13-20(19)28)22-18-11-9-14-5-1-2-6-16(14)25(18)31-26-23(22)24(29)17-7-3-4-8-21(17)30-26/h1-2,5-6,9-13,22H,3-4,7-8H2,(H2,29,30)	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	5.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sfax Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate incubated for 10 mins prior to substrate addition measured after 15 mins by Ellm...				Eur J Med Chem 54: 750-63 (2012) Article DOI: 10.1016/j.ejmech.2012.06.038 BindingDB Entry DOI: 10.7270/Q2R78GCM
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50401241 (CHEMBL2206898) Show SMILES Nc1c2CCCCc2nc2Oc3c(ccc4ccccc34)C(c3ccc(cc3)[N+]([O-])=O)c12 Show InChI InChI=1S/C26H21N3O3/c27-24-19-7-3-4-8-21(19)28-26-23(24)22(16-9-12-17(13-10-16)29(30)31)20-14-11-15-5-1-2-6-18(15)25(20)32-26/h1-2,5-6,9-14,22H,3-4,7-8H2,(H2,27,28)	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	5.74E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sfax Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate incubated for 10 mins prior to substrate addition measured after 15 mins by Ellm...				Eur J Med Chem 54: 750-63 (2012) Article DOI: 10.1016/j.ejmech.2012.06.038 BindingDB Entry DOI: 10.7270/Q2R78GCM
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50401245 (CHEMBL2206893) Show SMILES Nc1c2CCCCc2nc2Oc3c(ccc4ccccc34)C(c3ccc(O)cc3)c12 Show InChI InChI=1S/C26H22N2O2/c27-24-19-7-3-4-8-21(19)28-26-23(24)22(16-9-12-17(29)13-10-16)20-14-11-15-5-1-2-6-18(15)25(20)30-26/h1-2,5-6,9-14,22,29H,3-4,7-8H2,(H2,27,28)	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	7.83E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sfax Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate incubated for 10 mins prior to substrate addition measured after 15 mins by Ellm...				Eur J Med Chem 54: 750-63 (2012) Article DOI: 10.1016/j.ejmech.2012.06.038 BindingDB Entry DOI: 10.7270/Q2R78GCM
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50401244 (CHEMBL2206894) Show SMILES COc1ccccc1C1c2ccc3ccccc3c2Oc2nc3CCCCc3c(N)c12 Show InChI InChI=1S/C27H24N2O2/c1-30-22-13-7-5-11-19(22)23-20-15-14-16-8-2-3-9-17(16)26(20)31-27-24(23)25(28)18-10-4-6-12-21(18)29-27/h2-3,5,7-9,11,13-15,23H,4,6,10,12H2,1H3,(H2,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.37E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sfax Curated by ChEMBL					Assay Description Inhibition of human BuChE using butyrylthiocholine iodide as substrate incubated for 10 mins prior to substrate addition measured after 15 mins by El...				Eur J Med Chem 54: 750-63 (2012) Article DOI: 10.1016/j.ejmech.2012.06.038 BindingDB Entry DOI: 10.7270/Q2R78GCM
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50401245 (CHEMBL2206893) Show SMILES Nc1c2CCCCc2nc2Oc3c(ccc4ccccc34)C(c3ccc(O)cc3)c12 Show InChI InChI=1S/C26H22N2O2/c27-24-19-7-3-4-8-21(19)28-26-23(24)22(16-9-12-17(29)13-10-16)20-14-11-15-5-1-2-6-18(15)25(20)30-26/h1-2,5-6,9-14,22,29H,3-4,7-8H2,(H2,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sfax Curated by ChEMBL					Assay Description Inhibition of human BuChE using butyrylthiocholine iodide as substrate incubated for 10 mins prior to substrate addition measured after 15 mins by El...				Eur J Med Chem 54: 750-63 (2012) Article DOI: 10.1016/j.ejmech.2012.06.038 BindingDB Entry DOI: 10.7270/Q2R78GCM
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50401246 (CHEMBL2206892) Show SMILES Cc1ccc(cc1)C1c2ccc3ccccc3c2Oc2nc3CCCCc3c(N)c12 Show InChI InChI=1S/C27H24N2O/c1-16-10-12-18(13-11-16)23-21-15-14-17-6-2-3-7-19(17)26(21)30-27-24(23)25(28)20-8-4-5-9-22(20)29-27/h2-3,6-7,10-15,23H,4-5,8-9H2,1H3,(H2,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sfax Curated by ChEMBL					Assay Description Inhibition of human BuChE using butyrylthiocholine iodide as substrate incubated for 10 mins prior to substrate addition measured after 15 mins by El...				Eur J Med Chem 54: 750-63 (2012) Article DOI: 10.1016/j.ejmech.2012.06.038 BindingDB Entry DOI: 10.7270/Q2R78GCM
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50401247 (CHEMBL2206891) Show SMILES Nc1c2CCCCc2nc2Oc3c(ccc4ccccc34)C(c3ccccc3)c12 Show InChI InChI=1S/C26H22N2O/c27-24-19-12-6-7-13-21(19)28-26-23(24)22(17-9-2-1-3-10-17)20-15-14-16-8-4-5-11-18(16)25(20)29-26/h1-5,8-11,14-15,22H,6-7,12-13H2,(H2,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sfax Curated by ChEMBL					Assay Description Inhibition of human BuChE using butyrylthiocholine iodide as substrate incubated for 10 mins prior to substrate addition measured after 15 mins by El...				Eur J Med Chem 54: 750-63 (2012) Article DOI: 10.1016/j.ejmech.2012.06.038 BindingDB Entry DOI: 10.7270/Q2R78GCM
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50401238 (CHEMBL2206895) Show SMILES COc1cc(ccc1O)C1c2ccc3ccccc3c2Oc2nc3CCCCc3c(N)c12 Show InChI InChI=1S/C27H24N2O3/c1-31-22-14-16(11-13-21(22)30)23-19-12-10-15-6-2-3-7-17(15)26(19)32-27-24(23)25(28)18-8-4-5-9-20(18)29-27/h2-3,6-7,10-14,23,30H,4-5,8-9H2,1H3,(H2,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sfax Curated by ChEMBL					Assay Description Inhibition of human BuChE using butyrylthiocholine iodide as substrate incubated for 10 mins prior to substrate addition measured after 15 mins by El...				Eur J Med Chem 54: 750-63 (2012) Article DOI: 10.1016/j.ejmech.2012.06.038 BindingDB Entry DOI: 10.7270/Q2R78GCM
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50401243 (CHEMBL2206896) Show SMILES COc1ccc(C2c3ccc4ccccc4c3Oc3nc4CCCCc4c(N)c23)c(OC)c1 Show InChI InChI=1S/C28H26N2O3/c1-31-17-12-14-20(23(15-17)32-2)24-21-13-11-16-7-3-4-8-18(16)27(21)33-28-25(24)26(29)19-9-5-6-10-22(19)30-28/h3-4,7-8,11-15,24H,5-6,9-10H2,1-2H3,(H2,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sfax Curated by ChEMBL					Assay Description Inhibition of human BuChE using butyrylthiocholine iodide as substrate incubated for 10 mins prior to substrate addition measured after 15 mins by El...				Eur J Med Chem 54: 750-63 (2012) Article DOI: 10.1016/j.ejmech.2012.06.038 BindingDB Entry DOI: 10.7270/Q2R78GCM
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50401242 (CHEMBL2206897) Show SMILES COc1cc(cc(OC)c1OC)C1c2ccc3ccccc3c2Oc2nc3CCCCc3c(N)c12 Show InChI InChI=1S/C29H28N2O4/c1-32-22-14-17(15-23(33-2)28(22)34-3)24-20-13-12-16-8-4-5-9-18(16)27(20)35-29-25(24)26(30)19-10-6-7-11-21(19)31-29/h4-5,8-9,12-15,24H,6-7,10-11H2,1-3H3,(H2,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sfax Curated by ChEMBL					Assay Description Inhibition of human BuChE using butyrylthiocholine iodide as substrate incubated for 10 mins prior to substrate addition measured after 15 mins by El...				Eur J Med Chem 54: 750-63 (2012) Article DOI: 10.1016/j.ejmech.2012.06.038 BindingDB Entry DOI: 10.7270/Q2R78GCM
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50401241 (CHEMBL2206898) Show SMILES Nc1c2CCCCc2nc2Oc3c(ccc4ccccc34)C(c3ccc(cc3)[N+]([O-])=O)c12 Show InChI InChI=1S/C26H21N3O3/c27-24-19-7-3-4-8-21(19)28-26-23(24)22(16-9-12-17(13-10-16)29(30)31)20-14-11-15-5-1-2-6-18(15)25(20)32-26/h1-2,5-6,9-14,22H,3-4,7-8H2,(H2,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sfax Curated by ChEMBL					Assay Description Inhibition of human BuChE using butyrylthiocholine iodide as substrate incubated for 10 mins prior to substrate addition measured after 15 mins by El...				Eur J Med Chem 54: 750-63 (2012) Article DOI: 10.1016/j.ejmech.2012.06.038 BindingDB Entry DOI: 10.7270/Q2R78GCM
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50401240 (CHEMBL2206899) Show SMILES Nc1c2CCCCc2nc2Oc3c(ccc4ccccc34)C(c3c(Cl)cccc3Cl)c12 Show InChI InChI=1S/C26H20Cl2N2O/c27-18-9-5-10-19(28)22(18)21-17-13-12-14-6-1-2-7-15(14)25(17)31-26-23(21)24(29)16-8-3-4-11-20(16)30-26/h1-2,5-7,9-10,12-13,21H,3-4,8,11H2,(H2,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sfax Curated by ChEMBL					Assay Description Inhibition of human BuChE using butyrylthiocholine iodide as substrate incubated for 10 mins prior to substrate addition measured after 15 mins by El...				Eur J Med Chem 54: 750-63 (2012) Article DOI: 10.1016/j.ejmech.2012.06.038 BindingDB Entry DOI: 10.7270/Q2R78GCM
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50401239 (CHEMBL2206900) Show SMILES Nc1c2CCCCc2nc2Oc3c(ccc4ccccc34)C(c3ccc(Cl)c(Cl)c3)c12 Show InChI InChI=1S/C26H20Cl2N2O/c27-19-12-10-15(13-20(19)28)22-18-11-9-14-5-1-2-6-16(14)25(18)31-26-23(22)24(29)17-7-3-4-8-21(17)30-26/h1-2,5-6,9-13,22H,3-4,7-8H2,(H2,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sfax Curated by ChEMBL					Assay Description Inhibition of human BuChE using butyrylthiocholine iodide as substrate incubated for 10 mins prior to substrate addition measured after 15 mins by El...				Eur J Med Chem 54: 750-63 (2012) Article DOI: 10.1016/j.ejmech.2012.06.038 BindingDB Entry DOI: 10.7270/Q2R78GCM
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50340108 (CHEMBL1762826 | rac-14-(4'-Methylphenyl)-10,11,12,...) Show SMILES Cc1ccc(cc1)C1c2c(Oc3ccc4ccccc4c13)nc1CCCCc1c2N Show InChI InChI=1S/C27H24N2O/c1-16-10-12-18(13-11-16)23-24-19-7-3-2-6-17(19)14-15-22(24)30-27-25(23)26(28)20-8-4-5-9-21(20)29-27/h2-3,6-7,10-15,23H,4-5,8-9H2,1H3,(H2,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sfax Curated by ChEMBL					Assay Description Inhibition of horse serum butrylcholinesterase preincubated with compound for 10 mins using butrylcholine iodide as substrate after 15 mins by spectr...				Bioorg Med Chem Lett 21: 2384-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.094 BindingDB Entry DOI: 10.7270/Q2D79BQQ
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50340117 (CHEMBL1762835 | rac-14-(4'-Nitrophenyl)-10,11,12,1...) Show SMILES Nc1c2CCCCc2nc2Oc3ccc4ccccc4c3C(c3ccc(cc3)[N+]([O-])=O)c12 Show InChI InChI=1S/C26H21N3O3/c27-25-19-7-3-4-8-20(19)28-26-24(25)22(16-9-12-17(13-10-16)29(30)31)23-18-6-2-1-5-15(18)11-14-21(23)32-26/h1-2,5-6,9-14,22H,3-4,7-8H2,(H2,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sfax Curated by ChEMBL					Assay Description Inhibition of horse serum butrylcholinesterase preincubated with compound for 10 mins using butrylcholine iodide as substrate after 15 mins by spectr...				Bioorg Med Chem Lett 21: 2384-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.094 BindingDB Entry DOI: 10.7270/Q2D79BQQ
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50340116 (CHEMBL1762834 | rac-14-(3',4',5'-Trimethoxyphenyl)...) Show SMILES COc1cc(cc(OC)c1OC)C1c2c(N)c3CCCCc3nc2Oc2ccc3ccccc3c12 Show InChI InChI=1S/C29H28N2O4/c1-32-22-14-17(15-23(33-2)28(22)34-3)24-25-18-9-5-4-8-16(18)12-13-21(25)35-29-26(24)27(30)19-10-6-7-11-20(19)31-29/h4-5,8-9,12-15,24H,6-7,10-11H2,1-3H3,(H2,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sfax Curated by ChEMBL					Assay Description Inhibition of horse serum butrylcholinesterase preincubated with compound for 10 mins using butrylcholine iodide as substrate after 15 mins by spectr...				Bioorg Med Chem Lett 21: 2384-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.094 BindingDB Entry DOI: 10.7270/Q2D79BQQ
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50340115 (CHEMBL1762833 | rac-14-(3',4'-Dimethoxyphenyl)-10,...) Show SMILES COc1ccc(cc1OC)C1c2c(N)c3CCCCc3nc2Oc2ccc3ccccc3c12 Show InChI InChI=1S/C28H26N2O3/c1-31-21-13-12-17(15-23(21)32-2)24-25-18-8-4-3-7-16(18)11-14-22(25)33-28-26(24)27(29)19-9-5-6-10-20(19)30-28/h3-4,7-8,11-15,24H,5-6,9-10H2,1-2H3,(H2,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sfax Curated by ChEMBL					Assay Description Inhibition of horse serum butrylcholinesterase preincubated with compound for 10 mins using butrylcholine iodide as substrate after 15 mins by spectr...				Bioorg Med Chem Lett 21: 2384-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.094 BindingDB Entry DOI: 10.7270/Q2D79BQQ
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50340114 (CHEMBL1762832 | rac-4-[13-Amino-10,11,12,14-tetrah...) Show SMILES COc1cc(ccc1O)C1c2c(N)c3CCCCc3nc2Oc2ccc3ccccc3c12 Show InChI InChI=1S/C27H24N2O3/c1-31-22-14-16(10-12-20(22)30)23-24-17-7-3-2-6-15(17)11-13-21(24)32-27-25(23)26(28)18-8-4-5-9-19(18)29-27/h2-3,6-7,10-14,23,30H,4-5,8-9H2,1H3,(H2,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sfax Curated by ChEMBL					Assay Description Inhibition of horse serum butrylcholinesterase preincubated with compound for 10 mins using butrylcholine iodide as substrate after 15 mins by spectr...				Bioorg Med Chem Lett 21: 2384-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.094 BindingDB Entry DOI: 10.7270/Q2D79BQQ
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50340113 (CHEMBL1762831 | rac-4-[12-Amino-9,10,11,13-tetrahy...) Show SMILES COc1cc(ccc1O)C1c2c(N)c3CCCc3nc2Oc2ccc3ccccc3c12 Show InChI InChI=1S/C26H22N2O3/c1-30-21-13-15(9-11-19(21)29)22-23-16-6-3-2-5-14(16)10-12-20(23)31-26-24(22)25(27)17-7-4-8-18(17)28-26/h2-3,5-6,9-13,22,29H,4,7-8H2,1H3,(H2,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sfax Curated by ChEMBL					Assay Description Inhibition of horse serum butrylcholinesterase preincubated with compound for 10 mins using butrylcholine iodide as substrate after 15 mins by spectr...				Bioorg Med Chem Lett 21: 2384-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.094 BindingDB Entry DOI: 10.7270/Q2D79BQQ
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50340112 (CHEMBL1762830 | rac-14-(2'-Methoxyphenyl)-10,11,12...) Show SMILES COc1ccccc1C1c2c(N)c3CCCCc3nc2Oc2ccc3ccccc3c12 Show InChI InChI=1S/C27H24N2O2/c1-30-21-13-7-5-11-19(21)24-23-17-9-3-2-8-16(17)14-15-22(23)31-27-25(24)26(28)18-10-4-6-12-20(18)29-27/h2-3,5,7-9,11,13-15,24H,4,6,10,12H2,1H3,(H2,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sfax Curated by ChEMBL					Assay Description Inhibition of horse serum butrylcholinesterase preincubated with compound for 10 mins using butrylcholine iodide as substrate after 15 mins by spectr...				Bioorg Med Chem Lett 21: 2384-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.094 BindingDB Entry DOI: 10.7270/Q2D79BQQ
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sfax Curated by ChEMBL					Assay Description Inhibition of horse serum butrylcholinesterase preincubated with compound for 10 mins using butrylcholine iodide as substrate after 15 mins by spectr...				Bioorg Med Chem Lett 21: 2384-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.094 BindingDB Entry DOI: 10.7270/Q2D79BQQ
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50340110 (CHEMBL1762828 | rac-14-(4'-Methoxyphenyl)-10,11,12...) Show SMILES COc1ccc(cc1)C1c2c(N)c3CCCCc3nc2Oc2ccc3ccccc3c12 Show InChI InChI=1S/C27H24N2O2/c1-30-18-13-10-17(11-14-18)23-24-19-7-3-2-6-16(19)12-15-22(24)31-27-25(23)26(28)20-8-4-5-9-21(20)29-27/h2-3,6-7,10-15,23H,4-5,8-9H2,1H3,(H2,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sfax Curated by ChEMBL					Assay Description Inhibition of horse serum butrylcholinesterase preincubated with compound for 10 mins using butrylcholine iodide as substrate after 15 mins by spectr...				Bioorg Med Chem Lett 21: 2384-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.094 BindingDB Entry DOI: 10.7270/Q2D79BQQ
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50340111 (CHEMBL1762829 | rac-14-(3'-Methoxyphenyl)-10,11,12...) Show SMILES COc1cccc(c1)C1c2c(N)c3CCCCc3nc2Oc2ccc3ccccc3c12 Show InChI InChI=1S/C27H24N2O2/c1-30-18-9-6-8-17(15-18)23-24-19-10-3-2-7-16(19)13-14-22(24)31-27-25(23)26(28)20-11-4-5-12-21(20)29-27/h2-3,6-10,13-15,23H,4-5,11-12H2,1H3,(H2,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sfax Curated by ChEMBL					Assay Description Inhibition of horse serum butrylcholinesterase preincubated with compound for 10 mins using butrylcholine iodide as substrate after 15 mins by spectr...				Bioorg Med Chem Lett 21: 2384-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.094 BindingDB Entry DOI: 10.7270/Q2D79BQQ
					More data for this Ligand-Target Pair