Compile Data Set for Download or QSAR

Found 103 hits Enz. Inhib. hit(s) with all data for entry = 50005170   

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 (Homo sapiens (Human))	BDBM50488712 (CHEMBL2297978) Show SMILES Cc1c(csc1C(=O)NC1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C24H25ClN2O3S2/c1-17-22(32(29,30)21-9-7-19(25)8-10-21)16-31-23(17)24(28)26-20-11-13-27(14-12-20)15-18-5-3-2-4-6-18/h2-10,16,20H,11-15H2,1H3,(H,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to acetylcholinesterase (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-012-0227-3 BindingDB Entry DOI: 10.7270/Q24F1TN5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50248848 (5,6-Dimethoxy-2-{3-[(pyrrolidin-1-yl)methyl]-benzy...) Show SMILES COc1cc2CC(Cc3cccc(CN4CCCC4)c3)C(=O)c2cc1OC Show InChI InChI=1S/C23H27NO3/c1-26-21-13-18-12-19(23(25)20(18)14-22(21)27-2)11-16-6-5-7-17(10-16)15-24-8-3-4-9-24/h5-7,10,13-14,19H,3-4,8-9,11-12,15H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to acetylcholinesterase (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-012-0227-3 BindingDB Entry DOI: 10.7270/Q24F1TN5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50248818 (2-{3-[(Diethylamino)methyl]benzyl}-5,6-dimethoxy-2...) Show SMILES CCN(CC)Cc1cccc(CC2Cc3cc(OC)c(OC)cc3C2=O)c1 Show InChI InChI=1S/C23H29NO3/c1-5-24(6-2)15-17-9-7-8-16(10-17)11-19-12-18-13-21(26-3)22(27-4)14-20(18)23(19)25/h7-10,13-14,19H,5-6,11-12,15H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to acetylcholinesterase (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-012-0227-3 BindingDB Entry DOI: 10.7270/Q24F1TN5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50488715 (CHEMBL2297980) Show SMILES FC(F)(F)Oc1ccc(NC(=O)OC2CN(C2)C(c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C24H21F3N2O3/c25-24(26,27)32-20-13-11-19(12-14-20)28-23(30)31-21-15-29(16-21)22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,21-22H,15-16H2,(H,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to acetylcholinesterase (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-012-0227-3 BindingDB Entry DOI: 10.7270/Q24F1TN5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50169855 (5,6-Dimethoxy-2-[3-(1-piperidin-1-yl-ethyl)-phenox...) Show SMILES COc1cc2CC(Oc3cccc(c3)C(C)N3CCCCC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO4/c1-16(25-10-5-4-6-11-25)17-8-7-9-19(12-17)29-23-14-18-13-21(27-2)22(28-3)15-20(18)24(23)26/h7-9,12-13,15-16,23H,4-6,10-11,14H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to acetylcholinesterase (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-012-0227-3 BindingDB Entry DOI: 10.7270/Q24F1TN5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50488708 (CHEMBL2297979) Show SMILES FC(F)(F)c1ccc(NC(=O)CN2CCN(Cc3ccccc3)CC2)c(Cl)c1 Show InChI InChI=1S/C20H21ClF3N3O/c21-17-12-16(20(22,23)24)6-7-18(17)25-19(28)14-27-10-8-26(9-11-27)13-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2,(H,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to acetylcholinesterase (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-012-0227-3 BindingDB Entry DOI: 10.7270/Q24F1TN5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50488704 (CHEMBL1711540) Show SMILES COc1ccc(cc1OC)C(=O)NC1CCN(Cc2c(F)cccc2Cl)CC1 Show InChI InChI=1S/C21H24ClFN2O3/c1-27-19-7-6-14(12-20(19)28-2)21(26)24-15-8-10-25(11-9-15)13-16-17(22)4-3-5-18(16)23/h3-7,12,15H,8-11,13H2,1-2H3,(H,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to acetylcholinesterase (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-012-0227-3 BindingDB Entry DOI: 10.7270/Q24F1TN5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50248879 (5,6-Dimethoxy-2-{3-[(piperidin-1-yl)methyl]-benzyl...) Show SMILES COc1cc2CC(Cc3cccc(CN4CCCCC4)c3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-7-6-8-18(11-17)16-25-9-4-3-5-10-25/h6-8,11,14-15,20H,3-5,9-10,12-13,16H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to acetylcholinesterase (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-012-0227-3 BindingDB Entry DOI: 10.7270/Q24F1TN5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50488710 (CHEMBL2297984) Show SMILES CC(CN1CCN(Cc2ccccc2)CC1)N(C(=O)c1cccc(c1)[N+]([O-])=O)c1ccccn1 Show InChI InChI=1S/C26H29N5O3/c1-21(19-28-14-16-29(17-15-28)20-22-8-3-2-4-9-22)30(25-12-5-6-13-27-25)26(32)23-10-7-11-24(18-23)31(33)34/h2-13,18,21H,14-17,19-20H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article	61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to acetylcholinesterase (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-012-0227-3 BindingDB Entry DOI: 10.7270/Q24F1TN5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50248636 ((E)-2-{3-[(Dimethylamino)methyl]benzylidene}-5,6-d...) Show SMILES COc1cc2C\C(=C/c3cccc(CN(C)C)c3)C(=O)c2cc1OC Show InChI InChI=1S/C21H23NO3/c1-22(2)13-15-7-5-6-14(8-15)9-17-10-16-11-19(24-3)20(25-4)12-18(16)21(17)23/h5-9,11-12H,10,13H2,1-4H3/b17-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to acetylcholinesterase (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-012-0227-3 BindingDB Entry DOI: 10.7270/Q24F1TN5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50169862 (5,6-Dimethoxy-2-[3-(4-methyl-piperazin-1-ylmethyl)...) Show SMILES COc1cc2CC(Oc3cccc(CN4CCN(C)CC4)c3)C(=O)c2cc1OC Show InChI InChI=1S/C23H28N2O4/c1-24-7-9-25(10-8-24)15-16-5-4-6-18(11-16)29-22-13-17-12-20(27-2)21(28-3)14-19(17)23(22)26/h4-6,11-12,14,22H,7-10,13,15H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to acetylcholinesterase (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-012-0227-3 BindingDB Entry DOI: 10.7270/Q24F1TN5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50169866 (5,6-Dimethoxy-2-[4-(4-methyl-piperazin-1-ylmethyl)...) Show SMILES COc1cc2CC(Oc3ccc(CN4CCN(C)CC4)cc3)C(=O)c2cc1OC Show InChI InChI=1S/C23H28N2O4/c1-24-8-10-25(11-9-24)15-16-4-6-18(7-5-16)29-22-13-17-12-20(27-2)21(28-3)14-19(17)23(22)26/h4-7,12,14,22H,8-11,13,15H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to acetylcholinesterase (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-012-0227-3 BindingDB Entry DOI: 10.7270/Q24F1TN5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50248780 ((E)-5,6-Dimethoxy-2-{3-[(piperidin-1-yl)methyl]-be...) Show SMILES COc1cc2C\C(=C/c3cccc(CN4CCCCC4)c3)C(=O)c2cc1OC Show InChI InChI=1S/C24H27NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-7-6-8-18(11-17)16-25-9-4-3-5-10-25/h6-8,11-12,14-15H,3-5,9-10,13,16H2,1-2H3/b20-12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to acetylcholinesterase (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-012-0227-3 BindingDB Entry DOI: 10.7270/Q24F1TN5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50248880 (5,6-Dimethoxy-2-{4-[(piperidin-1-yl)methyl]-benzyl...) Show SMILES COc1cc2CC(Cc3ccc(CN4CCCCC4)cc3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-6-8-18(9-7-17)16-25-10-4-3-5-11-25/h6-9,14-15,20H,3-5,10-13,16H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to acetylcholinesterase (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-012-0227-3 BindingDB Entry DOI: 10.7270/Q24F1TN5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50169856 (5,6-Dimethoxy-2-{3-[1-(4-methyl-piperazin-1-yl)-et...) Show SMILES COc1cc2CC(Oc3cccc(c3)C(C)N3CCN(C)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H30N2O4/c1-16(26-10-8-25(2)9-11-26)17-6-5-7-19(12-17)30-23-14-18-13-21(28-3)22(29-4)15-20(18)24(23)27/h5-7,12-13,15-16,23H,8-11,14H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to acetylcholinesterase (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-012-0227-3 BindingDB Entry DOI: 10.7270/Q24F1TN5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50248781 ((E)-5,6-Dimethoxy-2-{4-[(piperidin-1-yl)methyl]-be...) Show SMILES COc1cc2C\C(=C/c3ccc(CN4CCCCC4)cc3)C(=O)c2cc1OC Show InChI InChI=1S/C24H27NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-6-8-18(9-7-17)16-25-10-4-3-5-11-25/h6-9,12,14-15H,3-5,10-11,13,16H2,1-2H3/b20-12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	95	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to acetylcholinesterase (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-012-0227-3 BindingDB Entry DOI: 10.7270/Q24F1TN5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50488707 (CHEMBL1720480) Show SMILES O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2OCCCOc2c1 Show InChI InChI=1S/C22H26N2O3/c25-22(18-7-8-20-21(15-18)27-14-4-13-26-20)23-19-9-11-24(12-10-19)16-17-5-2-1-3-6-17/h1-3,5-8,15,19H,4,9-14,16H2,(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article	95	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to acetylcholinesterase (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-012-0227-3 BindingDB Entry DOI: 10.7270/Q24F1TN5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50169865 (5,6-Dimethoxy-2-[4-(1-piperidin-1-yl-ethyl)-phenox...) Show SMILES COc1cc2CC(Oc3ccc(cc3)C(C)N3CCCCC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO4/c1-16(25-11-5-4-6-12-25)17-7-9-19(10-8-17)29-23-14-18-13-21(27-2)22(28-3)15-20(18)24(23)26/h7-10,13,15-16,23H,4-6,11-12,14H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	106	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to acetylcholinesterase (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-012-0227-3 BindingDB Entry DOI: 10.7270/Q24F1TN5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50169851 (5,6-Dimethoxy-2-[3-(1-morpholin-4-yl-ethyl)-phenox...) Show SMILES COc1cc2CC(Oc3cccc(c3)C(C)N3CCOCC3)C(=O)c2cc1OC Show InChI InChI=1S/C23H27NO5/c1-15(24-7-9-28-10-8-24)16-5-4-6-18(11-16)29-22-13-17-12-20(26-2)21(27-3)14-19(17)23(22)25/h4-6,11-12,14-15,22H,7-10,13H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	118	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to acetylcholinesterase (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-012-0227-3 BindingDB Entry DOI: 10.7270/Q24F1TN5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50248746 ((E)-5,6-Dimethoxy-2-{3-[(pyrrolidin-1-yl)methyl]-b...) Show SMILES COc1cc2C\C(=C/c3cccc(CN4CCCC4)c3)C(=O)c2cc1OC Show InChI InChI=1S/C23H25NO3/c1-26-21-13-18-12-19(23(25)20(18)14-22(21)27-2)11-16-6-5-7-17(10-16)15-24-8-3-4-9-24/h5-7,10-11,13-14H,3-4,8-9,12,15H2,1-2H3/b19-11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	127	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to acetylcholinesterase (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-012-0227-3 BindingDB Entry DOI: 10.7270/Q24F1TN5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50488706 (CHEMBL2297981) Show SMILES CSc1cccc(c1)\N=C1/NC(=O)C(CC(=O)Nc2ccc(F)c(F)c2)S1 Show InChI InChI=1S/C18H15F2N3O2S2/c1-26-12-4-2-3-10(7-12)22-18-23-17(25)15(27-18)9-16(24)21-11-5-6-13(19)14(20)8-11/h2-8,15H,9H2,1H3,(H,21,24)(H,22,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to acetylcholinesterase (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-012-0227-3 BindingDB Entry DOI: 10.7270/Q24F1TN5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50169873 (5,6-Dimethoxy-2-[3-(1-pyrrolidin-1-yl-ethyl)-pheno...) Show SMILES COc1cc2CC(Oc3cccc(c3)C(C)N3CCCC3)C(=O)c2cc1OC Show InChI InChI=1S/C23H27NO4/c1-15(24-9-4-5-10-24)16-7-6-8-18(11-16)28-22-13-17-12-20(26-2)21(27-3)14-19(17)23(22)25/h6-8,11-12,14-15,22H,4-5,9-10,13H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	138	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to acetylcholinesterase (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-012-0227-3 BindingDB Entry DOI: 10.7270/Q24F1TN5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50248784 (2-{4-[(Dimethylamino)methyl]benzyl}-5,6-dimethoxy-...) Show SMILES COc1cc2CC(Cc3ccc(CN(C)C)cc3)C(=O)c2cc1OC Show InChI InChI=1S/C21H25NO3/c1-22(2)13-15-7-5-14(6-8-15)9-17-10-16-11-19(24-3)20(25-4)12-18(16)21(17)23/h5-8,11-12,17H,9-10,13H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	161	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to acetylcholinesterase (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-012-0227-3 BindingDB Entry DOI: 10.7270/Q24F1TN5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50248747 ((E)-5,6-Dimethoxy-2-{4-[(pyrrolidin-1-yl)methyl]-b...) Show SMILES COc1cc2C\C(=C/c3ccc(CN4CCCC4)cc3)C(=O)c2cc1OC Show InChI InChI=1S/C23H25NO3/c1-26-21-13-18-12-19(23(25)20(18)14-22(21)27-2)11-16-5-7-17(8-6-16)15-24-9-3-4-10-24/h5-8,11,13-14H,3-4,9-10,12,15H2,1-2H3/b19-11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	198	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to acetylcholinesterase (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-012-0227-3 BindingDB Entry DOI: 10.7270/Q24F1TN5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50169870 (2-(4-Dimethylaminomethyl-phenoxy)-5,6-dimethoxy-in...) Show SMILES COc1cc2CC(Oc3ccc(CN(C)C)cc3)C(=O)c2cc1OC Show InChI InChI=1S/C20H23NO4/c1-21(2)12-13-5-7-15(8-6-13)25-19-10-14-9-17(23-3)18(24-4)11-16(14)20(19)22/h5-9,11,19H,10,12H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	209	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to acetylcholinesterase (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-012-0227-3 BindingDB Entry DOI: 10.7270/Q24F1TN5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50169852 (5,6-Dimethoxy-2-[4-(1-morpholin-4-yl-ethyl)-phenox...) Show SMILES COc1cc2CC(Oc3ccc(cc3)C(C)N3CCOCC3)C(=O)c2cc1OC Show InChI InChI=1S/C23H27NO5/c1-15(24-8-10-28-11-9-24)16-4-6-18(7-5-16)29-22-13-17-12-20(26-2)21(27-3)14-19(17)23(22)25/h4-7,12,14-15,22H,8-11,13H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	217	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to acetylcholinesterase (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-012-0227-3 BindingDB Entry DOI: 10.7270/Q24F1TN5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50169854 (5,6-Dimethoxy-2-{4-[1-(4-methyl-piperazin-1-yl)-et...) Show SMILES COc1cc2CC(Oc3ccc(cc3)C(C)N3CCN(C)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H30N2O4/c1-16(26-11-9-25(2)10-12-26)17-5-7-19(8-6-17)30-23-14-18-13-21(28-3)22(29-4)15-20(18)24(23)27/h5-8,13,15-16,23H,9-12,14H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	228	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to acetylcholinesterase (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-012-0227-3 BindingDB Entry DOI: 10.7270/Q24F1TN5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50248657 ((E)-2-{3-[(Ethylmethylamino)methyl]benzylidene}-5,...) Show SMILES CCN(C)Cc1cccc(\C=C2/Cc3cc(OC)c(OC)cc3C2=O)c1 Show InChI InChI=1S/C22H25NO3/c1-5-23(2)14-16-8-6-7-15(9-16)10-18-11-17-12-20(25-3)21(26-4)13-19(17)22(18)24/h6-10,12-13H,5,11,14H2,1-4H3/b18-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	236	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to acetylcholinesterase (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-012-0227-3 BindingDB Entry DOI: 10.7270/Q24F1TN5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50248714 ((E)-2-{3-[(Diethylamino)methyl]benzylidene}-5,6-di...) Show SMILES CCN(CC)Cc1cccc(\C=C2/Cc3cc(OC)c(OC)cc3C2=O)c1 Show InChI InChI=1S/C23H27NO3/c1-5-24(6-2)15-17-9-7-8-16(10-17)11-19-12-18-13-21(26-3)22(27-4)14-20(18)23(19)25/h7-11,13-14H,5-6,12,15H2,1-4H3/b19-11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	237	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to acetylcholinesterase (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-012-0227-3 BindingDB Entry DOI: 10.7270/Q24F1TN5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50488716 (CHEMBL2297977) Show SMILES FC(F)(F)Oc1ccc(NC(=O)N2CCCN(CCc3ccccc3)CC2)cc1 Show InChI InChI=1S/C21H24F3N3O2/c22-21(23,24)29-19-9-7-18(8-10-19)25-20(28)27-13-4-12-26(15-16-27)14-11-17-5-2-1-3-6-17/h1-3,5-10H,4,11-16H2,(H,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article	241	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to acetylcholinesterase (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-012-0227-3 BindingDB Entry DOI: 10.7270/Q24F1TN5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50169850 (5,6-Dimethoxy-2-(4-pyrrolidin-1-ylmethyl-phenoxy)-...) Show SMILES COc1cc2CC(Oc3ccc(CN4CCCC4)cc3)C(=O)c2cc1OC Show InChI InChI=1S/C22H25NO4/c1-25-19-11-16-12-21(22(24)18(16)13-20(19)26-2)27-17-7-5-15(6-8-17)14-23-9-3-4-10-23/h5-8,11,13,21H,3-4,9-10,12,14H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	257	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to acetylcholinesterase (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-012-0227-3 BindingDB Entry DOI: 10.7270/Q24F1TN5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50488711 (CHEMBL2297983) Show SMILES OC(COc1ccc(cc1)[N+]([O-])=O)CN1CCCN(CC1)c1nc2ccc(Cl)cc2s1 Show InChI InChI=1S/C21H23ClN4O4S/c22-15-2-7-19-20(12-15)31-21(23-19)25-9-1-8-24(10-11-25)13-17(27)14-30-18-5-3-16(4-6-18)26(28)29/h2-7,12,17,27H,1,8-11,13-14H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article	263	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to acetylcholinesterase (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-012-0227-3 BindingDB Entry DOI: 10.7270/Q24F1TN5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50169872 (5,6-Dimethoxy-2-(3-piperidin-1-ylmethyl-phenoxy)-i...) Show SMILES COc1cc2CC(Oc3cccc(CN4CCCCC4)c3)C(=O)c2cc1OC Show InChI InChI=1S/C23H27NO4/c1-26-20-12-17-13-22(23(25)19(17)14-21(20)27-2)28-18-8-6-7-16(11-18)15-24-9-4-3-5-10-24/h6-8,11-12,14,22H,3-5,9-10,13,15H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	266	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to acetylcholinesterase (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-012-0227-3 BindingDB Entry DOI: 10.7270/Q24F1TN5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50169861 (2-[3-(1-Dimethylamino-ethyl)-phenoxy]-5,6-dimethox...) Show SMILES COc1cc2CC(Oc3cccc(c3)C(C)N(C)C)C(=O)c2cc1OC Show InChI InChI=1S/C21H25NO4/c1-13(22(2)3)14-7-6-8-16(9-14)26-20-11-15-10-18(24-4)19(25-5)12-17(15)21(20)23/h6-10,12-13,20H,11H2,1-5H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to acetylcholinesterase (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-012-0227-3 BindingDB Entry DOI: 10.7270/Q24F1TN5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50169871 (5,6-Dimethoxy-2-[4-(1-pyrrolidin-1-yl-ethyl)-pheno...) Show SMILES COc1cc2CC(Oc3ccc(cc3)C(C)N3CCCC3)C(=O)c2cc1OC Show InChI InChI=1S/C23H27NO4/c1-15(24-10-4-5-11-24)16-6-8-18(9-7-16)28-22-13-17-12-20(26-2)21(27-3)14-19(17)23(22)25/h6-9,12,14-15,22H,4-5,10-11,13H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	403	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to acetylcholinesterase (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-012-0227-3 BindingDB Entry DOI: 10.7270/Q24F1TN5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50169863 (5,6-Dimethoxy-2-(4-piperidin-1-ylmethyl-phenoxy)-i...) Show SMILES COc1cc2CC(Oc3ccc(CN4CCCCC4)cc3)C(=O)c2cc1OC Show InChI InChI=1S/C23H27NO4/c1-26-20-12-17-13-22(23(25)19(17)14-21(20)27-2)28-18-8-6-16(7-9-18)15-24-10-4-3-5-11-24/h6-9,12,14,22H,3-5,10-11,13,15H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	403	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to acetylcholinesterase (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-012-0227-3 BindingDB Entry DOI: 10.7270/Q24F1TN5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50248715 ((E)-2-{4-[(Diethylamino)methyl]benzylidene}-5,6-di...) Show SMILES CCN(CC)Cc1ccc(\C=C2/Cc3cc(OC)c(OC)cc3C2=O)cc1 Show InChI InChI=1S/C23H27NO3/c1-5-24(6-2)15-17-9-7-16(8-10-17)11-19-12-18-13-21(26-3)22(27-4)14-20(18)23(19)25/h7-11,13-14H,5-6,12,15H2,1-4H3/b19-11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	453	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to acetylcholinesterase (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-012-0227-3 BindingDB Entry DOI: 10.7270/Q24F1TN5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50169868 (5,6-Dimethoxy-2-(3-pyrrolidin-1-ylmethyl-phenoxy)-...) Show SMILES COc1cc2CC(Oc3cccc(CN4CCCC4)c3)C(=O)c2cc1OC Show InChI InChI=1S/C22H25NO4/c1-25-19-11-16-12-21(22(24)18(16)13-20(19)26-2)27-17-7-5-6-15(10-17)14-23-8-3-4-9-23/h5-7,10-11,13,21H,3-4,8-9,12,14H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	505	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to acetylcholinesterase (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-012-0227-3 BindingDB Entry DOI: 10.7270/Q24F1TN5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50248815 (2-{3-[(Ethylmethylamino)methyl]benzyl}-5,6-dimetho...) Show SMILES CCN(C)Cc1cccc(CC2Cc3cc(OC)c(OC)cc3C2=O)c1 Show InChI InChI=1S/C22H27NO3/c1-5-23(2)14-16-8-6-7-15(9-16)10-18-11-17-12-20(25-3)21(26-4)13-19(17)22(18)24/h6-9,12-13,18H,5,10-11,14H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	507	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to acetylcholinesterase (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-012-0227-3 BindingDB Entry DOI: 10.7270/Q24F1TN5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50169858 (5,6-Dimethoxy-2-(4-morpholin-4-ylmethyl-phenoxy)-i...) Show SMILES COc1cc2CC(Oc3ccc(CN4CCOCC4)cc3)C(=O)c2cc1OC Show InChI InChI=1S/C22H25NO5/c1-25-19-11-16-12-21(22(24)18(16)13-20(19)26-2)28-17-5-3-15(4-6-17)14-23-7-9-27-10-8-23/h3-6,11,13,21H,7-10,12,14H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	514	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to acetylcholinesterase (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-012-0227-3 BindingDB Entry DOI: 10.7270/Q24F1TN5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50488713 (CHEMBL2297975) Show SMILES CC(C)(C)c1ccc(cc1)C(\N)=N\OC(=O)c1cnn(c1C(F)(F)F)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C22H20F3N5O4/c1-21(2,3)14-6-4-13(5-7-14)19(26)28-34-20(31)17-12-27-29(18(17)22(23,24)25)15-8-10-16(11-9-15)30(32)33/h4-12H,1-3H3,(H2,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article	521	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to acetylcholinesterase (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-012-0227-3 BindingDB Entry DOI: 10.7270/Q24F1TN5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50248783 (2-{3-[(Dimethylamino)methyl]benzyl}-5,6-dimethoxy-...) Show SMILES COc1cc2CC(Cc3cccc(CN(C)C)c3)C(=O)c2cc1OC Show InChI InChI=1S/C21H25NO3/c1-22(2)13-15-7-5-6-14(8-15)9-17-10-16-11-19(24-3)20(25-4)12-18(16)21(17)23/h5-8,11-12,17H,9-10,13H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	525	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to acetylcholinesterase (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-012-0227-3 BindingDB Entry DOI: 10.7270/Q24F1TN5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50169860 (2-[4-(1-Dimethylamino-ethyl)-phenoxy]-5,6-dimethox...) Show SMILES COc1cc2CC(Oc3ccc(cc3)C(C)N(C)C)C(=O)c2cc1OC Show InChI InChI=1S/C21H25NO4/c1-13(22(2)3)14-6-8-16(9-7-14)26-20-11-15-10-18(24-4)19(25-5)12-17(15)21(20)23/h6-10,12-13,20H,11H2,1-5H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	543	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to acetylcholinesterase (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-012-0227-3 BindingDB Entry DOI: 10.7270/Q24F1TN5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50248637 ((E)-2-{4-[(Dimethylamino)methyl]benzylidene}-5,6-d...) Show SMILES COc1cc2C\C(=C/c3ccc(CN(C)C)cc3)C(=O)c2cc1OC Show InChI InChI=1S/C21H23NO3/c1-22(2)13-15-7-5-14(6-8-15)9-17-10-16-11-19(24-3)20(25-4)12-18(16)21(17)23/h5-9,11-12H,10,13H2,1-4H3/b17-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	617	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to acetylcholinesterase (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-012-0227-3 BindingDB Entry DOI: 10.7270/Q24F1TN5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50248849 (5,6-Dimethoxy-2-{4-[(pyrrolidin-1-yl)methyl]-benzy...) Show SMILES COc1cc2CC(Cc3ccc(CN4CCCC4)cc3)C(=O)c2cc1OC Show InChI InChI=1S/C23H27NO3/c1-26-21-13-18-12-19(23(25)20(18)14-22(21)27-2)11-16-5-7-17(8-6-16)15-24-9-3-4-10-24/h5-8,13-14,19H,3-4,9-12,15H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	773	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to acetylcholinesterase (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-012-0227-3 BindingDB Entry DOI: 10.7270/Q24F1TN5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50169849 (5,6-Dimethoxy-2-(3-morpholin-4-ylmethyl-phenoxy)-i...) Show SMILES COc1cc2CC(Oc3cccc(CN4CCOCC4)c3)C(=O)c2cc1OC Show InChI InChI=1S/C22H25NO5/c1-25-19-11-16-12-21(22(24)18(16)13-20(19)26-2)28-17-5-3-4-15(10-17)14-23-6-8-27-9-7-23/h3-5,10-11,13,21H,6-9,12,14H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	793	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to acetylcholinesterase (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-012-0227-3 BindingDB Entry DOI: 10.7270/Q24F1TN5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50169869 (2-[3-(1-Diethylamino-ethyl)-phenoxy]-5,6-dimethoxy...) Show SMILES CCN(CC)C(C)c1cccc(OC2Cc3cc(OC)c(OC)cc3C2=O)c1 Show InChI InChI=1S/C23H29NO4/c1-6-24(7-2)15(3)16-9-8-10-18(11-16)28-22-13-17-12-20(26-4)21(27-5)14-19(17)23(22)25/h8-12,14-15,22H,6-7,13H2,1-5H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	865	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to acetylcholinesterase (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-012-0227-3 BindingDB Entry DOI: 10.7270/Q24F1TN5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50153017 (2-(2-(4-cyclohexylphenylimino)-4-oxothiazolidin-5-...) Show SMILES Oc1nc(Nc2ccc(cc2)C2CCCCC2)sc1CC(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C24H24F3N3O3S/c25-24(26,27)33-19-12-10-17(11-13-19)28-21(31)14-20-22(32)30-23(34-20)29-18-8-6-16(7-9-18)15-4-2-1-3-5-15/h6-13,15,32H,1-5,14H2,(H,28,31)(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	897	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to acetylcholinesterase (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-012-0227-3 BindingDB Entry DOI: 10.7270/Q24F1TN5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50248816 (2-{4-[(Ethylmethylamino)methyl]benzyl}-5,6-dimetho...) Show SMILES CCN(C)Cc1ccc(CC2Cc3cc(OC)c(OC)cc3C2=O)cc1 Show InChI InChI=1S/C22H27NO3/c1-5-23(2)14-16-8-6-15(7-9-16)10-18-11-17-12-20(25-3)21(26-4)13-19(17)22(18)24/h6-9,12-13,18H,5,10-11,14H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	918	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to acetylcholinesterase (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-012-0227-3 BindingDB Entry DOI: 10.7270/Q24F1TN5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50248712 ((E)-2-{4-[(Ethylmethylamino)methyl]benzylidene}-5,...) Show SMILES CCN(C)Cc1ccc(\C=C2/Cc3cc(OC)c(OC)cc3C2=O)cc1 Show InChI InChI=1S/C22H25NO3/c1-5-23(2)14-16-8-6-15(7-9-16)10-18-11-17-12-20(25-3)21(26-4)13-19(17)22(18)24/h6-10,12-13H,5,11,14H2,1-4H3/b18-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	920	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to acetylcholinesterase (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-012-0227-3 BindingDB Entry DOI: 10.7270/Q24F1TN5
					More data for this Ligand-Target Pair

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