Compile Data Set for Download or QSAR

Found 24 hits Enz. Inhib. hit(s) with all data for entry = 50033135   

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
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
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 (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
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
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))	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))	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))	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))	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))	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))	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))	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))	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