Compile Data Set for Download or QSAR

Found 40 hits Enz. Inhib. hit(s) with all data for entry = 50011589   

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))	BDBM50022775 ((m-Hydroxyphenyl)trimethylammonium dimethylcarbama...) Show SMILES CN(C)C(=O)Oc1cccc(c1)[N+](C)(C)C Show InChI InChI=1S/C12H19N2O2/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5/h6-9H,1-5H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Organon Laboratories Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant AChE				Bioorg Med Chem Lett 12: 193-6 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SP0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108395 (Benzyl-{3-[2-(3,4-dimethoxy-phenyl)-2-oxo-ethoxy]-...) Show SMILES COc1ccc(cc1OC)C(=O)COc1cccc(c1)[N+](C)(C)Cc1ccccc1 Show InChI InChI=1S/C25H28NO4/c1-26(2,17-19-9-6-5-7-10-19)21-11-8-12-22(16-21)30-18-23(27)20-13-14-24(28-3)25(15-20)29-4/h5-16H,17-18H2,1-4H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Organon Laboratories Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant AChE				Bioorg Med Chem Lett 12: 193-6 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SP0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108427 ((3-Acetoxy-phenyl)-allyl-dimethyl-ammonium; bromid...) Show SMILES CC(=O)Oc1cccc(c1)[N+](C)(C)CC=C Show InChI InChI=1S/C13H18NO2/c1-5-9-14(3,4)12-7-6-8-13(10-12)16-11(2)15/h5-8,10H,1,9H2,2-4H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Organon Laboratories Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant AChE				Bioorg Med Chem Lett 12: 193-6 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SP0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108394 (Allyl-(2-methoxy-phenyl)-dimethyl-ammonium; bromid...) Show SMILES COc1ccccc1[N+](C)(C)CC=C Show InChI InChI=1S/C12H18NO/c1-5-10-13(2,3)11-8-6-7-9-12(11)14-4/h5-9H,1,10H2,2-4H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Organon Laboratories Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant AChE				Bioorg Med Chem Lett 12: 193-6 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SP0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108397 (Benzyl-{3-[3-(3,4-dimethoxy-phenyl)-3-oxo-propyl]-...) Show SMILES COc1ccc(cc1OC)C(=O)CCc1cccc(c1)[N+](C)(C)Cc1ccccc1 Show InChI InChI=1S/C26H30NO3/c1-27(2,19-21-9-6-5-7-10-21)23-12-8-11-20(17-23)13-15-24(28)22-14-16-25(29-3)26(18-22)30-4/h5-12,14,16-18H,13,15,19H2,1-4H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
Organon Laboratories Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant AChE				Bioorg Med Chem Lett 12: 193-6 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SP0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108415 (Benzyl-{4-[3-(3,4-dimethoxy-phenyl)-3-oxo-propyl]-...) Show SMILES COc1ccc(cc1OC)C(=O)CCc1ccc(cc1)[N+](C)(C)Cc1ccccc1 Show InChI InChI=1S/C26H30NO3/c1-27(2,19-21-8-6-5-7-9-21)23-14-10-20(11-15-23)12-16-24(28)22-13-17-25(29-3)26(18-22)30-4/h5-11,13-15,17-18H,12,16,19H2,1-4H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Organon Laboratories Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant AChE				Bioorg Med Chem Lett 12: 193-6 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SP0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108405 (Allyl-(2-hydroxy-phenyl)-dimethyl-ammonium; bromid...) Show SMILES C[N+](C)(CC=C)c1ccccc1O Show InChI InChI=1S/C11H15NO/c1-4-9-12(2,3)10-7-5-6-8-11(10)13/h4-8H,1,9H2,2-3H3/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.85E+3	n/a	n/a	n/a	n/a	n/a	n/a
Organon Laboratories Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant AChE				Bioorg Med Chem Lett 12: 193-6 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SP0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108419 (Allyl-(3-hydroxy-phenyl)-dimethyl-ammonium; bromid...) Show SMILES C[N+](C)(CC=C)c1cccc(O)c1 Show InChI InChI=1S/C11H15NO/c1-4-8-12(2,3)10-6-5-7-11(13)9-10/h4-7,9H,1,8H2,2-3H3/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Organon Laboratories Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant AChE				Bioorg Med Chem Lett 12: 193-6 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SP0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108414 (CHEMBL59790 | {4-[3-(3,4-Dimethoxy-phenyl)-3-oxo-p...) Show SMILES COc1ccc(cc1OC)C(=O)CCc1ccc(cc1)[N+](C)(C)C Show InChI InChI=1S/C20H26NO3/c1-21(2,3)17-10-6-15(7-11-17)8-12-18(22)16-9-13-19(23-4)20(14-16)24-5/h6-7,9-11,13-14H,8,12H2,1-5H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Organon Laboratories Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant AChE				Bioorg Med Chem Lett 12: 193-6 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SP0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM120262 (EDROPHONIUM BROMIDE | EDROPHONIUM CHLORIDE | Edrop...) Show SMILES CC[N+](C)(C)c1cccc(O)c1 Show InChI InChI=1S/C10H15NO/c1-4-11(2,3)9-6-5-7-10(12)8-9/h5-8H,4H2,1-3H3/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	DrugBank PubMed	n/a	n/a	3.96E+3	n/a	n/a	n/a	n/a	n/a	n/a
Organon Laboratories Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant AChE				Bioorg Med Chem Lett 12: 193-6 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SP0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108413 (Allyl-(4-methoxy-phenyl)-dimethyl-ammonium; bromid...) Show SMILES COc1ccc(cc1)[N+](C)(C)CC=C Show InChI InChI=1S/C12H18NO/c1-5-10-13(2,3)11-6-8-12(14-4)9-7-11/h5-9H,1,10H2,2-4H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Organon Laboratories Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant AChE				Bioorg Med Chem Lett 12: 193-6 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SP0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108410 (Allyl-(3-hydroxy-benzyl)-dimethyl-ammonium; bromid...) Show SMILES C[N+](C)(CC=C)Cc1cccc(O)c1 Show InChI InChI=1S/C12H17NO/c1-4-8-13(2,3)10-11-6-5-7-12(14)9-11/h4-7,9H,1,8,10H2,2-3H3/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Organon Laboratories Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant AChE				Bioorg Med Chem Lett 12: 193-6 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SP0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108416 ((4-Acetoxy-phenyl)-allyl-dimethyl-ammonium; bromid...) Show SMILES CC(=O)Oc1ccc(cc1)[N+](C)(C)CC=C Show InChI InChI=1S/C13H18NO2/c1-5-10-14(3,4)12-6-8-13(9-7-12)16-11(2)15/h5-9H,1,10H2,2-4H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Organon Laboratories Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant AChE				Bioorg Med Chem Lett 12: 193-6 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SP0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108417 (CHEMBL294251 | {3-[3-(3,4-Dimethoxy-phenyl)-3-oxo-...) Show SMILES COc1ccc(cc1OC)C(=O)CCc1cccc(c1)[N+](C)(C)C Show InChI InChI=1S/C20H26NO3/c1-21(2,3)17-8-6-7-15(13-17)9-11-18(22)16-10-12-19(23-4)20(14-16)24-5/h6-8,10,12-14H,9,11H2,1-5H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Organon Laboratories Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant AChE				Bioorg Med Chem Lett 12: 193-6 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SP0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108431 ((3-Methoxy-benzyl)-trimethyl-ammonium; bromide | C...) Show SMILES COc1cccc(C[N+](C)(C)C)c1 Show InChI InChI=1S/C11H18NO/c1-12(2,3)9-10-6-5-7-11(8-10)13-4/h5-8H,9H2,1-4H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Organon Laboratories Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant AChE				Bioorg Med Chem Lett 12: 193-6 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SP0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108393 (Allyl-{4-[2-(3,4-dimethoxy-phenyl)-2-oxo-ethoxy]-p...) Show SMILES COc1ccc(cc1OC)C(=O)COc1ccc(cc1)[N+](C)(C)CC=C Show InChI InChI=1S/C21H26NO4/c1-6-13-22(2,3)17-8-10-18(11-9-17)26-15-19(23)16-7-12-20(24-4)21(14-16)25-5/h6-12,14H,1,13,15H2,2-5H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Organon Laboratories Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant AChE				Bioorg Med Chem Lett 12: 193-6 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SP0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108421 (CHEMBL62031 | {3-[2-(3,4-Dimethoxy-phenyl)-2-oxo-e...) Show SMILES COc1ccc(cc1OC)C(=O)COc1cccc(c1)[N+](C)(C)C Show InChI InChI=1S/C19H24NO4/c1-20(2,3)15-7-6-8-16(12-15)24-13-17(21)14-9-10-18(22-4)19(11-14)23-5/h6-12H,13H2,1-5H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Organon Laboratories Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant AChE				Bioorg Med Chem Lett 12: 193-6 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SP0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108423 (Benzyl-(3-methoxy-benzyl)-dimethyl-ammonium; bromi...) Show SMILES COc1cccc(C[N+](C)(C)Cc2ccccc2)c1 Show InChI InChI=1S/C17H22NO/c1-18(2,13-15-8-5-4-6-9-15)14-16-10-7-11-17(12-16)19-3/h4-12H,13-14H2,1-3H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Organon Laboratories Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant AChE				Bioorg Med Chem Lett 12: 193-6 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SP0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108422 ((2-Hydroxy-phenyl)-dimethyl-(2-methyl-allyl)-ammon...) Show SMILES CC(=C)C[N+](C)(C)c1ccccc1O Show InChI InChI=1S/C12H17NO/c1-10(2)9-13(3,4)11-7-5-6-8-12(11)14/h5-8H,1,9H2,2-4H3/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Organon Laboratories Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant AChE				Bioorg Med Chem Lett 12: 193-6 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SP0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108400 ((2-Methoxy-phenyl)-dimethyl-(2-methyl-allyl)-ammon...) Show SMILES COc1ccccc1[N+](C)(C)CC(C)=C Show InChI InChI=1S/C13H20NO/c1-11(2)10-14(3,4)12-8-6-7-9-13(12)15-5/h6-9H,1,10H2,2-5H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Organon Laboratories Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant AChE				Bioorg Med Chem Lett 12: 193-6 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SP0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108426 ((3-Acetoxy-phenyl)-benzyl-dimethyl-ammonium; bromi...) Show SMILES CC(=O)Oc1cccc(c1)[N+](C)(C)Cc1ccccc1 Show InChI InChI=1S/C17H20NO2/c1-14(19)20-17-11-7-10-16(12-17)18(2,3)13-15-8-5-4-6-9-15/h4-12H,13H2,1-3H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Organon Laboratories Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant AChE				Bioorg Med Chem Lett 12: 193-6 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SP0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108418 (Allyl-(3-methoxy-phenyl)-dimethyl-ammonium; bromid...) Show SMILES COc1cccc(c1)[N+](C)(C)CC=C Show InChI InChI=1S/C12H18NO/c1-5-9-13(2,3)11-7-6-8-12(10-11)14-4/h5-8,10H,1,9H2,2-4H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Organon Laboratories Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant AChE				Bioorg Med Chem Lett 12: 193-6 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SP0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108428 ((2-Acetoxy-phenyl)-benzyl-dimethyl-ammonium; bromi...) Show SMILES CC(=O)Oc1ccccc1[N+](C)(C)Cc1ccccc1 Show InChI InChI=1S/C17H20NO2/c1-14(19)20-17-12-8-7-11-16(17)18(2,3)13-15-9-5-4-6-10-15/h4-12H,13H2,1-3H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Organon Laboratories Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant AChE				Bioorg Med Chem Lett 12: 193-6 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SP0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108420 ((4-Acetoxy-phenyl)-benzyl-dimethyl-ammonium; bromi...) Show SMILES CC(=O)Oc1ccc(cc1)[N+](C)(C)Cc1ccccc1 Show InChI InChI=1S/C17H20NO2/c1-14(19)20-17-11-9-16(10-12-17)18(2,3)13-15-7-5-4-6-8-15/h4-12H,13H2,1-3H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Organon Laboratories Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant AChE				Bioorg Med Chem Lett 12: 193-6 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SP0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108425 (Benzyl-(3-methoxy-phenyl)-dimethyl-ammonium; bromi...) Show SMILES COc1cccc(c1)[N+](C)(C)Cc1ccccc1 Show InChI InChI=1S/C16H20NO/c1-17(2,13-14-8-5-4-6-9-14)15-10-7-11-16(12-15)18-3/h4-12H,13H2,1-3H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Organon Laboratories Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant AChE				Bioorg Med Chem Lett 12: 193-6 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SP0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108408 ((4-Hydroxy-phenyl)-dimethyl-(2-methyl-allyl)-ammon...) Show SMILES CC(=C)C[N+](C)(C)c1ccc(O)cc1 Show InChI InChI=1S/C12H17NO/c1-10(2)9-13(3,4)11-5-7-12(14)8-6-11/h5-8H,1,9H2,2-4H3/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Organon Laboratories Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant AChE				Bioorg Med Chem Lett 12: 193-6 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SP0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108430 (Benzyl-(3-hydroxy-benzyl)-dimethyl-ammonium; bromi...) Show SMILES C[N+](C)(Cc1ccccc1)Cc1cccc(O)c1 Show InChI InChI=1S/C16H19NO/c1-17(2,12-14-7-4-3-5-8-14)13-15-9-6-10-16(18)11-15/h3-11H,12-13H2,1-2H3/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Organon Laboratories Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant AChE				Bioorg Med Chem Lett 12: 193-6 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SP0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108429 (Benzyl-(2-methoxy-phenyl)-dimethyl-ammonium; bromi...) Show SMILES COc1ccccc1[N+](C)(C)Cc1ccccc1 Show InChI InChI=1S/C16H20NO/c1-17(2,13-14-9-5-4-6-10-14)15-11-7-8-12-16(15)18-3/h4-12H,13H2,1-3H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Organon Laboratories Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant AChE				Bioorg Med Chem Lett 12: 193-6 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SP0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108424 (Allyl-(3-methoxy-benzyl)-dimethyl-ammonium; bromid...) Show SMILES COc1cccc(C[N+](C)(C)CC=C)c1 Show InChI InChI=1S/C13H20NO/c1-5-9-14(2,3)11-12-7-6-8-13(10-12)15-4/h5-8,10H,1,9,11H2,2-4H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Organon Laboratories Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant AChE				Bioorg Med Chem Lett 12: 193-6 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SP0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108411 ((3-Methoxy-phenyl)-dimethyl-(2-methyl-allyl)-ammon...) Show SMILES COc1cccc(c1)[N+](C)(C)CC(C)=C Show InChI InChI=1S/C13H20NO/c1-11(2)10-14(3,4)12-7-6-8-13(9-12)15-5/h6-9H,1,10H2,2-5H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Organon Laboratories Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant AChE				Bioorg Med Chem Lett 12: 193-6 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SP0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108409 ((3-Hydroxy-benzyl)-trimethyl-ammonium; bromide | C...) Show SMILES C[N+](C)(C)Cc1cccc(O)c1 Show InChI InChI=1S/C10H15NO/c1-11(2,3)8-9-5-4-6-10(12)7-9/h4-7H,8H2,1-3H3/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Organon Laboratories Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant AChE				Bioorg Med Chem Lett 12: 193-6 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SP0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108412 ((3-Hydroxy-phenyl)-dimethyl-(2-methyl-allyl)-ammon...) Show SMILES CC(=C)C[N+](C)(C)c1cccc(O)c1 Show InChI InChI=1S/C12H17NO/c1-10(2)9-13(3,4)11-6-5-7-12(14)8-11/h5-8H,1,9H2,2-4H3/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Organon Laboratories Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant AChE				Bioorg Med Chem Lett 12: 193-6 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SP0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108402 (But-3-enyl-(2-hydroxy-phenyl)-dimethyl-ammonium; b...) Show SMILES C[N+](C)(CCC=C)c1ccccc1O Show InChI InChI=1S/C12H17NO/c1-4-5-10-13(2,3)11-8-6-7-9-12(11)14/h4,6-9H,1,5,10H2,2-3H3/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Organon Laboratories Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant AChE				Bioorg Med Chem Lett 12: 193-6 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SP0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108407 (Benzyl-{4-[2-(3,4-dimethoxy-phenyl)-2-oxo-ethoxy]-...) Show SMILES COc1ccc(cc1OC)C(=O)COc1ccc(cc1)[N+](C)(C)Cc1ccccc1 Show InChI InChI=1S/C25H28NO4/c1-26(2,17-19-8-6-5-7-9-19)21-11-13-22(14-12-21)30-18-23(27)20-10-15-24(28-3)25(16-20)29-4/h5-16H,17-18H2,1-4H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Organon Laboratories Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant AChE				Bioorg Med Chem Lett 12: 193-6 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SP0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108406 (Benzyl-(2-hydroxy-phenyl)-dimethyl-ammonium; bromi...) Show SMILES C[N+](C)(Cc1ccccc1)c1ccccc1O Show InChI InChI=1S/C15H17NO/c1-16(2,12-13-8-4-3-5-9-13)14-10-6-7-11-15(14)17/h3-11H,12H2,1-2H3/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Organon Laboratories Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant AChE				Bioorg Med Chem Lett 12: 193-6 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SP0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108401 (Benzyl-(4-methoxy-phenyl)-dimethyl-ammonium; bromi...) Show SMILES COc1ccc(cc1)[N+](C)(C)Cc1ccccc1 Show InChI InChI=1S/C16H20NO/c1-17(2,13-14-7-5-4-6-8-14)15-9-11-16(18-3)12-10-15/h4-12H,13H2,1-3H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Organon Laboratories Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant AChE				Bioorg Med Chem Lett 12: 193-6 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SP0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108404 (Allyl-(4-hydroxy-phenyl)-dimethyl-ammonium; bromid...) Show SMILES C[N+](C)(CC=C)c1ccc(O)cc1 Show InChI InChI=1S/C11H15NO/c1-4-9-12(2,3)10-5-7-11(13)8-6-10/h4-8H,1,9H2,2-3H3/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Organon Laboratories Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant AChE				Bioorg Med Chem Lett 12: 193-6 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SP0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108398 (CHEMBL60180 | {4-[2-(3,4-Dimethoxy-phenyl)-2-oxo-e...) Show SMILES COc1ccc(cc1OC)C(=O)COc1ccc(cc1)[N+](C)(C)C Show InChI InChI=1S/C19H24NO4/c1-20(2,3)15-7-9-16(10-8-15)24-13-17(21)14-6-11-18(22-4)19(12-14)23-5/h6-12H,13H2,1-5H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Organon Laboratories Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant AChE				Bioorg Med Chem Lett 12: 193-6 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SP0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108396 (Benzyl-(3-hydroxy-phenyl)-dimethyl-ammonium; bromi...) Show SMILES C[N+](C)(Cc1ccccc1)c1cccc(O)c1 Show InChI InChI=1S/C15H17NO/c1-16(2,12-13-7-4-3-5-8-13)14-9-6-10-15(17)11-14/h3-11H,12H2,1-2H3/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Organon Laboratories Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant AChE				Bioorg Med Chem Lett 12: 193-6 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SP0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50108403 (Benzyl-(4-hydroxy-phenyl)-dimethyl-ammonium; bromi...) Show SMILES C[N+](C)(Cc1ccccc1)c1ccc(O)cc1 Show InChI InChI=1S/C15H17NO/c1-16(2,12-13-6-4-3-5-7-13)14-8-10-15(17)11-9-14/h3-11H,12H2,1-2H3/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Organon Laboratories Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant AChE				Bioorg Med Chem Lett 12: 193-6 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SP0
					More data for this Ligand-Target Pair